SCHEMBL681610

SCHEMBL681610

CC(=O)Nc1ncc(C(C)C)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.73
CCNE1 P24864 14/20 0.73
CDK5 Q00535 6/20 0.73
CDK1 P06493 5/20 0.58
CDK4 P11802 5/20 0.58
CCNB1 P14635 4/20 0.58
CCND1 P24385 4/20 0.58
CCNT1 O60563 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CCNA2 P20248 1/20 0.58
CDK7 P50613 1/20 0.58
CDK9 P50750 1/20 0.58
CCNH P51946 1/20 0.58
MNAT1 P51948 1/20 0.58
CDK5R1 Q15078 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
FDPS P14324 1/20 0.55
PSEN1 P49768 3/20 0.49
PSEN2 P49810 3/20 0.49
APH1B Q8WW43 3/20 0.49

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
SCHEMBL16112900 0.88 CDK2 (0.57) CDK2CCNE1CDK5CDK1CDK4
SCHEMBL21359488 0.86 CDK2 (0.55) CDK2CCNE1CDK5CDK1CDK4
SCHEMBL27574298 0.84 CDK2 (0.71) CDK2CCNE1CDK5CDK1CDK4
SCHEMBL24624620 0.84 CDK2 (0.71) CDK2CCNE1CDK5CDK1CDK4
SCHEMBL2463824 0.84 CDK2 (1.00) CDK2CCNE1CDK5CDK1CDK4
SCHEMBL16138426 0.83 CDK2 (0.53) CDK2CCNE1CDK5CDK1CDK4
SCHEMBL13436494 0.83 CDK2 (0.69) CDK2CCNE1CDK5CDK1CDK4
SCHEMBL5835525 0.83 CDK2 (0.71) CDK2CCNE1CDK5CDK1CDK4
SCHEMBL17244883 0.82 CDK2 (0.63) CDK2CCNE1CDK5CDK1CDK4
SCHEMBL13436511 0.81 CDK2 (0.67) CDK2CCNE1CDK5CDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-07-20 US disclosed
US-10675286-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-7666879-B2 Imidazo[1,2-A]pyridine compounds as VEGF-R2 inhibitors ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
CN-100410245-C Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2008-08-13 CN disclosed
CN-1425009-A Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-06-18 CN 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 (11 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-10675286-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CDK2 100/4885CCNE1 1333/4885CDK5 83/4885
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 CDK2 28/4885CCNE1 440/4885CDK5 78/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 CDK2 28/4885CCNE1 440/4885CDK5 78/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CDK2 77/4885CCNE1 425/4885CDK5 160/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CDK2 40/4885CCNE1 91/4885CDK5 142/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CDK2 130/4885CCNE1 339/4885CDK5 471/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CDK2 18/4885CCNE1 8/4885CDK5 127/4885
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KB, PI4KA, PIK3CD CDK2 293/4885CCNE1 1432/4885CDK5 364/4885
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS KDR, FLT1, FLT4 CDK2 34/4885CCNE1 214/4885CDK5 322/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 CDK2 28/4885CCNE1 440/4885CDK5 78/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CDK2 100/4885CCNE1 1333/4885CDK5 83/4885

“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.