SCHEMBL2076331

SCHEMBL2076331

COc1cccc(Nc2nccc(-c3sc(NC(=O)CCBr)nc3C)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
MAPT P10636 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 4/20 0.58
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 3/20 0.56
CDK2 P24941 11/20 0.56
CDK1 P06493 6/20 0.56
AURKA O14965 3/20 0.56
AURKB Q96GD4 3/20 0.56
FLT3 P36888 2/20 0.56
MKNK2 Q9HBH9 2/20 0.56
CDC7 O00311 1/20 0.56
PLK4 O00444 1/20 0.56
IKBKB O14920 1/20 0.56
CHUK O15111 1/20 0.56
MAPK13 O15264 1/20 0.56
DAPK3 O43293 1/20 0.56

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
SCHEMBL2076031 0.90 MEN1 (0.59) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL2073699 0.89 CDK2 (0.53) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL2283576 0.87 CDK2 (0.59) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL2076824 0.85 CDK2 (0.57) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL2075784 0.85 CDK2 (0.72) MEN1MAPTKMT2ALMNACDK2
SCHEMBL2073788 0.85 CDK2 (0.62) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL2286476 0.82 CDK2 (0.74) CDK2CDK1AURKAAURKBFLT3
SCHEMBL2073696 0.82 CDK2 (0.61) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL4803155 0.82 CDK2 (0.71) CDK2CDK1AURKAAURKBFLT3
SCHEMBL2283519 0.80 CDK2 (0.56) MEN1MAPTKMT2AALDH1A1LMNA

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 8 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
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
EP-1567522-A1 PYRIMIDINE COMPOUNDS Cyclacel Limited (GB) 2005-08-31 EP disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO 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 MEN1 3957/4885MAPT 1954/4885KMT2A 1224/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 MEN1 3957/4885MAPT 1954/4885KMT2A 1224/4885

“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.