SCHEMBL6216752

SCHEMBL6216752

Cc1nc2c(c(C)c(C)n2-c2c(Br)cc(C(F)(F)F)cc2Br)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.49
CCND1 P24385 14/20 0.49
GABRB3 P28472 1/20 0.39
CCNE2 O96020 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
PDE2A O00408 2/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TYMS P04818 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL6214653 0.86 CDK4 (0.42) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6217174 0.85 CDK4 (0.40) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6219382 0.82 CDK4 (0.40) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6216606 0.81 CDK4 (0.39) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6215862 0.81 CDK4 (0.44) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6215863 0.80 CDK4 (0.39) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6213926 0.79 CDK4 (0.47) CDK4CCND1GABRB3CCNE2CCNE1
SCHEMBL6217206 0.79 CDK4 (0.49) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6221845 0.77 CDK4 (0.37) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6218073 0.77 CDK4 (0.43) CDK4CCND1CCNE2CCNE1CDK2

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 1239/4885GABRB3 1764/4885

“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.