Sugi Predict

Sugi Predict / Compounds / SCHEMBL12196893

SCHEMBL12196893

SCHEMBL12196893

CC(C)(C)c1cn2cccnc2n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.53
▸ KDM4E B2RXH2 13/20 0.53
▸ RAB9A P51151 11/20 0.53
▸ NPC1 O15118 10/20 0.53
▸ GAA P10253 7/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ HPGD P15428 10/20 0.49
▸ GLA P06280 5/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ RCE1 Q9Y256 1/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 4/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GFER P55789 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16346664 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL18673022 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL19504354 0.76 KDM4E (0.39) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL3156629 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL15935326 0.74 — —
SCHEMBL9944492 0.74 KDM4E (0.55) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL21705594 0.74 RAB9A (0.73) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL12299470 0.72 PDE10A (0.31) —
SCHEMBL5770463 0.72 ALDH1A1 (0.36) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL18995944 0.71 KDM4E (0.52) ALDH1A1KDM4ERAB9ANPC1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2021-05-27 — — US disclosed
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 — — US disclosed
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-11-14 — — US disclosed
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-06-18 — — US disclosed
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 — — US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 — — US disclosed
US-9956218-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2018-05-01 — — US disclosed
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2018-01-11 — — US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 — — US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS SAHOO SOUMYA P 2011-05-05 — — US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 — — US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 — — US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 — — US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 — — US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 — — US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 — — US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 — — US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B ALDH1A1 4527/4885KDM4E 1901/4885RAB9A 1511/4885
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 ALDH1A1 1890/4885KDM4E 36/4885RAB9A 816/4885
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 ALDH1A1 337/4885KDM4E 4236/4885RAB9A 4795/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 ALDH1A1 1263/4885KDM4E 4664/4885RAB9A 391/4885
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 ALDH1A1 347/4885KDM4E 3207/4885RAB9A 4391/4885
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof NAMPT, NQO2, NNMT ALDH1A1 2122/4885KDM4E 582/4885RAB9A 210/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 ALDH1A1 1890/4885KDM4E 36/4885RAB9A 816/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 ALDH1A1 180/4885KDM4E 222/4885RAB9A 3449/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 ALDH1A1 1890/4885KDM4E 36/4885RAB9A 816/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885KDM4E 123/4885RAB9A 2909/4885
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALDH1A1 159/4885KDM4E 2671/4885RAB9A 4316/4885
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT ALDH1A1 2122/4885KDM4E 582/4885RAB9A 210/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 ALDH1A1 2705/4885KDM4E 33/4885RAB9A 1165/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 ALDH1A1 1902/4885KDM4E 1450/4885RAB9A 1004/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ALDH1A1 4454/4885KDM4E 1645/4885RAB9A 2814/4885
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B ALDH1A1 362/4885KDM4E 3254/4885RAB9A 4474/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.