SCHEMBL2076789

SCHEMBL2076789

Cc1nc(NC(=O)CCCl)sc1-c1ccnc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.62
MEN1 O00255 7/20 0.61
ALDH1A1 P00352 7/20 0.61
MAPT P10636 7/20 0.61
KMT2A Q03164 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
ALOX12 P18054 2/20 0.61
GAA P10253 2/20 0.61
HPGD P15428 4/20 0.57
KDM4E B2RXH2 2/20 0.57
CDK4 P11802 9/20 0.56
PLK1 P53350 3/20 0.56
CCNA2 P20248 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL2075966 0.93 CDK2 (0.65) CDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2075427 0.91 CDK2 (0.61) CDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2073696 0.91 CDK2 (0.61) CDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2075970 0.84 MEN1 (0.53) CDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2073904 0.84 CDK2 (0.57) CDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL1804658 0.84 CDK2 (0.64) CDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL27624139 0.83 CDK2 (0.52) CDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2073788 0.82 CDK2 (0.62) CDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2076445 0.82 CDK2 (0.66) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2075902 0.82 CDK2 (0.68) CDK2MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US disclosed
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US disclosed
CN-100415740-C Pyrimidine compounds CYCLACEL LTD (GB) 2008-09-03 CN disclosed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP disclosed
CN-1711258-A Pyrimidine compounds CYCLACEL LTD (GB) 2005-12-21 CN disclosed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US 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 (2 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-20080287439-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885MEN1 3957/4885ALDH1A1 2334/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885MEN1 3957/4885ALDH1A1 2334/4885

“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.