SCHEMBL2076090

SCHEMBL2076090

Cc1nc(C)c(C(=O)C=CN(C)C)s1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 3/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 6/20 0.56
POLB P06746 4/20 0.50
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 2/20 0.40
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
JAK2 O60674 1/20 0.38
EGFR P00533 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL14955176 1.00 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL31483213 0.83 MAPT (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL4159119 0.83 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20452073 0.83 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL4800670 0.81 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL18453943 0.81 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20452440 0.81 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL15525147 0.81 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL18453947 0.81 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20452151 0.81 ALDH1A1 (0.56) 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
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
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
CN-1711258-A Pyrimidine compounds CYCLACEL LTD (GB) 2005-12-21 CN disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO 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
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
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 US disclosed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 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 (10 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-20020019404-A1 Anti-cancer compounds CDK3, CDK2, CDK4 ALDH1A1 3103/4885RAB9A 2461/4885SMN1; SMN2 4448/4885
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-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 ALDH1A1 3103/4885RAB9A 2461/4885SMN1; SMN2 4448/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885RAB9A 1518/4885SMN1; SMN2 1076/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ALDH1A1 1400/4885RAB9A 1518/4885SMN1; SMN2 1076/4885
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-20080287439-A1 Pyrimidine compounds CDK2, CCNI, CDK6 ALDH1A1 2334/4885RAB9A 3043/4885SMN1; SMN2 2791/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 ALDH1A1 2334/4885RAB9A 3043/4885SMN1; SMN2 2791/4885
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.