Sugi Predict

Sugi Predict / Compounds / SCHEMBL327563

SCHEMBL327563

SCHEMBL327563

Cc1nc(C)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ KMT2A Q03164 1/20 0.49
▸ COMT P21964 1/20 0.48
▸ JAK2 O60674 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ MGAM O43451 1/20 0.44
▸ SI P14410 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44
▸ GPR52 Q9Y2T5 1/20 0.43
▸ IKBKE Q14164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ PIN1 Q13526 1/20 0.42
▸ MAPT P10636 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
SCHEMBL9955904 0.86 KMT2A (0.49) KMT2AADORA3GAAMGAMSI
SCHEMBL2096735 0.83 ALOX5 (0.44) CDK4CDK2KMT2AALOX5ADORA3
SCHEMBL9953765 0.83 TGFBR1 (0.48) KMT2AGPR52IKBKEALDH1A1MAPT
SCHEMBL327353 0.82 RAB9A (0.51) KMT2ACOMTJAK2ALOX5ADORA3
SCHEMBL8043074 0.81 KMT2A (0.45) CDK4CDK2KMT2AALOX5ADORA3
SCHEMBL11916730 0.81 F2RL3 (0.50) CDK4CDK2KMT2AALOX5ADORA3
SCHEMBL11916724 0.81 KMT2A (0.48) CDK4CDK2KMT2AGAAGPR52
SCHEMBL27785967 0.80 KMT2A (0.44) KMT2AALOX5ADORA3GAAMGAM
SCHEMBL2091454 0.79 COMT (0.48) CDK4CDK2KMT2ACOMTJAK2
SCHEMBL12754295 0.79 HSD17B1 (0.54) CDK4CDK2KMT2ACOMTJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 — — US disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 — — WO disclosed
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 — — WO disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 — — US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 — — EP disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 — — WO disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 — — WO disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
WO-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 — — WO disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — US disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 — — WO disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 — — WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP 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 (6 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CDK4 1103/4885CDK2 1048/4885KMT2A 4267/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CDK4 999/4885CDK2 696/4885KMT2A 3324/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R CDK4 707/4885CDK2 389/4885KMT2A 1281/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R CDK4 707/4885CDK2 389/4885KMT2A 1281/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R CDK4 707/4885CDK2 389/4885KMT2A 1281/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R CDK4 707/4885CDK2 389/4885KMT2A 1281/4885

“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.