SCHEMBL4159119

SCHEMBL4159119

Cc1nc(N(C)C)sc1C(=O)C=CN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 6/20 0.53
POLB P06746 3/20 0.47
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 2/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
JAK2 O60674 1/20 0.36
EGFR P00533 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 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
SCHEMBL20452073 1.00 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL4161633 0.85 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL2076090 0.83 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL14955176 0.83 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL5163250 0.82 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL5163258 0.82 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20452290 0.81 ALDH1A1 (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL31438654 0.81 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20452013 0.81 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20451941 0.81 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 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-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-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2004-12-23 US disclosed
EP-1430051-A1 N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS Cyclacel Limited (GB) 2004-06-23 EP disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
WO-2003029248-A1 N-(4-(4-METHYLTHIAZOL-5-YL) PYRIMIDIN-2-YL) -N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS CYCLACEL LIMITED (GB) 2003-04-10 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 (4 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 ALDH1A1 2743/4885RAB9A 2128/4885SMN1; SMN2 2335/4885
US-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CDKL4 ALDH1A1 2719/4885RAB9A 4076/4885SMN1; SMN2 2905/4885
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CCNI ALDH1A1 2858/4885RAB9A 4034/4885SMN1; SMN2 3007/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 ALDH1A1 2550/4885RAB9A 1648/4885SMN1; SMN2 1010/4885

“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.