Sugi Predict

Sugi Predict / Compounds / SCHEMBL2701173

SCHEMBL2701173

SCHEMBL2701173

CP(C)(=O)CN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRM5 P08912 2/20 0.37
▸ CHRM3 P20309 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ CXCR4 P61073 3/20 0.34
▸ SIGMAR1 Q99720 4/20 0.34
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ CHRM2 P08172 1/20 0.31

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
SCHEMBL14190592 1.00 POLB (0.38) POLBKDM4EALDH1A1CHRM5CHRM3
SCHEMBL24359640 0.82 KDM4E (0.50) POLBKDM4EALDH1A1MAPT
SCHEMBL13530009 0.77 POLB (0.42) POLBALDH1A1CHRM5CHRM3SMN1; SMN2
SCHEMBL8580833 0.77 MAPT (0.54) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL14190596 0.76 SIGMAR1 (0.40) POLBKDM4EALDH1A1CHRM5CHRM3
SCHEMBL7453394 0.76 MAPT (0.50) POLBCHRM5CHRM3SMN1; SMN2MEN1
SCHEMBL336756 0.76 MAPT (0.50) POLBCHRM5CHRM3SMN1; SMN2MEN1
SCHEMBL7042108 0.76 POLB (0.34) POLBKDM4EALDH1A1CHRM5CHRM3
SCHEMBL6406021 0.76 MEN1 (0.39) POLBKDM4EALDH1A1CHRM5CHRM3
SCHEMBL3971889 0.76 POLB (0.34) POLBKDM4EALDH1A1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 — — US disclosed
EP-3337483-B1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2019-10-09 — — EP disclosed
US-20180186774-A1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2018-07-05 — — US disclosed
US-20180186774-A1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2018-07-05 — — US disclosed
US-9938256-B2 Annelated benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-10 — — US disclosed
US-9938256-B2 Annelated benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-10 — — US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20170050952-A1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 — — US disclosed
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. 2012-08-02 — — US disclosed
EP-2448409-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE Newgen Therapeutics, Inc. (US) 2012-05-09 — — EP disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 — — US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 — — US disclosed
WO-2011002523-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE KANIONUSA INC. (US) 2011-01-06 — — WO disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 — — US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 — — US disclosed
EP-2023933-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2009-02-18 — — EP disclosed
WO-2007133560-A9 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2008-11-13 — — WO disclosed
WO-2007133560-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 — — WO 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 (8 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-20170050952-A1 NOVEL ANNELATED BENZAMIDES HDAC10, HDAC11, H1-0 POLB 3848/4885KDM4E 862/4885ALDH1A1 168/4885
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA POLB 2157/4885KDM4E 3538/4885ALDH1A1 148/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 POLB 2336/4885KDM4E 1164/4885ALDH1A1 4677/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 POLB 2336/4885KDM4E 1164/4885ALDH1A1 4677/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 POLB 2336/4885KDM4E 1164/4885ALDH1A1 4677/4885
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE PPIP5K2, PIK3CA, PHKA1 POLB 675/4885KDM4E 4005/4885ALDH1A1 4398/4885
US-20180186774-A1 NOVEL ANNELATED BENZAMIDES HDAC10, HDAC11, H1-0 POLB 3848/4885KDM4E 862/4885ALDH1A1 168/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 POLB 1938/4885KDM4E 1170/4885ALDH1A1 3173/4885

“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.