SCHEMBL6218693

SCHEMBL6218693

Cc1nc2c(c(C)cn2-c2c(Cl)cc(Br)cc2Br)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.46
CCND1 P24385 17/20 0.46
CCNE2 O96020 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PARP1 P09874 1/20 0.36
TYMS P04818 1/20 0.36

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
SCHEMBL6217714 0.91 CDK4 (0.41) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6218669 0.89 CDK4 (0.42) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6213942 0.84 CDK4 (0.43) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6218319 0.84 CDK4 (0.36) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6216009 0.80 CDK4 (0.36) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6217206 0.79 CDK4 (0.49) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6213926 0.79 CDK4 (0.47) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6217815 0.78 FPR3 (0.35)
SCHEMBL6784008 0.77 CDK4 (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6216498 0.76 PDE2A (0.39) CDK4CCND1CA12CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176146-B1 CARBAMOYL TETRAHYDROPYRIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2005-06-08 EP disclosed
US-6894168-B2 Carbamoyl tetrahydropyridine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-05-17 US disclosed
EP-1449843-A1 Intermediates for the preparation of carbamoyl tetrahydropyridine derivatives Taisho Pharmaceutical Co. Ltd. (JP) 2004-08-25 EP disclosed
US-20030191122-A1 Carbamoyl tetrahydropyridine derivatives NAKAZATO ATSURO (JP) 2003-10-09 US disclosed
US-6600038-B1 Intermediates for the preparation thereof are provided. The derivatives described above are effective for diseases which are believed to involve CRF. involving Corticotropin Releasing Factor (CRF), such as depression, anxiety, TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-07-29 US disclosed
EP-1176146-A1 CARBAMOYL TETRAHYDROPYRIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-01-30 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 (1 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-20030191122-A1 Carbamoyl tetrahydropyridine derivatives CNR1, CRHR1, CRH CDK4 2019/4885CCND1 1239/4885CCNE2 2224/4885

“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.