SCHEMBL2075809

SCHEMBL2075809

CCNc1nc(C)c(C=CC(=O)N(C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 3/20 0.36
SHMT2 P34897 1/20 0.35
MAPK14 Q16539 1/20 0.35
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.33
CDK2 P24941 2/20 0.33
CCNA2 P20248 1/20 0.33
HPGD P15428 2/20 0.33
NR4A2 P43354 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
BRCA1 P38398 1/20 0.32
HTT P42858 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL4800941 0.87 NPC1 (0.40) NPC1ALDH1A1CDK5CDK9
SCHEMBL6362764 0.85 MAPT (0.41) NPC1ALDH1A1RAB9ACDK2CCNA2
SCHEMBL2075029 0.84 JAK2 (0.42) NPC1ALDH1A1RAB9AKMT2ACDK2
SCHEMBL4163033 0.83 ALDH1A1 (0.54) NPC1ALDH1A1MAPK14RAB9AKMT2A
SCHEMBL4164802 0.81 NPC1 (0.52) NPC1ALDH1A1RAB9AKMT2AHPGD
SCHEMBL4172292 0.81 PIK3CG (0.37) NPC1ALDH1A1RAB9AKMT2AHPGD
SCHEMBL4167886 0.80 NPC1 (0.65) NPC1ALDH1A1RAB9AKMT2AHPGD
SCHEMBL1889985 0.78 NPC1 (0.46) NPC1ALDH1A1RAB9AKMT2ACDK2
SCHEMBL2076088 0.77 NR4A2 (0.35) ALDH1A1RAB9ANR4A2KDM4EMAPT
SCHEMBL4166886 0.76 RAB9A (0.51) NPC1ALDH1A1RAB9AKMT2AHPGD

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 20 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 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
US-7427627-B2 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-09-23 US disclosed
US-7388015-B2 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-06-17 US disclosed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP disclosed
EP-1567522-B1 PYRIMIDINE COMPOUNDS CYCLACEL LTD (GB) 2007-09-19 EP disclosed
EP-1760082-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as anti-proliferative compounds Cyclacel Limited (GB) 2007-03-07 EP disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
EP-1430051-B1 N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS CYCLACEL LTD (GB) 2006-12-27 EP disclosed
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2006-09-07 US disclosed
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO disclosed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP disclosed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US disclosed
US-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2004-12-23 US disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
US-6699854-B2 2-SUBSTITUTED 4-HETEROARYL- PYRIMIDINES, INHIBITORS OF CYCLIN-DEPENDENT KINASES (CDKS) CYCLACEL LIMITED (GB) 2004-03-02 US disclosed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 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 (7 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 NPC1 2382/4885ALDH1A1 2743/4885SHMT2 1263/4885
US-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CDKL4 NPC1 3372/4885ALDH1A1 2719/4885SHMT2 1048/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 NPC1 3873/4885ALDH1A1 3103/4885SHMT2 1598/4885
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CCNI NPC1 3372/4885ALDH1A1 2858/4885SHMT2 1072/4885
US-20080287439-A1 Pyrimidine compounds CDK2, CCNI, CDK6 NPC1 3230/4885ALDH1A1 2334/4885SHMT2 1159/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 NPC1 3230/4885ALDH1A1 2334/4885SHMT2 1159/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 NPC1 525/4885ALDH1A1 2550/4885SHMT2 1157/4885

“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.