SCHEMBL2847950

SCHEMBL2847950

COC(=O)c1ccc(C)c(-n2c(SC)nc(O)cc2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALDH1A1 P00352 6/20 0.47
APLNR P35414 5/20 0.46
KMT2A Q03164 8/20 0.45
LMNA P02545 4/20 0.43
RECQL P46063 2/20 0.43
MEN1 O00255 6/20 0.43
ALOX12 P18054 3/20 0.43
HTT P42858 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.42
USP2 O75604 5/20 0.41
GLA P06280 2/20 0.41
OPRK1 P41145 1/20 0.40

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
SCHEMBL14989717 0.85 ALDH1A1 (0.51) TSHRALDH1A1APLNRKMT2ALMNA
SCHEMBL4510193 0.77 OPRK1 (0.40) TSHRALDH1A1APLNRKMT2ALMNA
SCHEMBL3521563 0.76 MAPK14 (0.55)
SCHEMBL2706645 0.75 ALDH1A1 (0.60) TSHRALDH1A1KMT2ALMNAMEN1
SCHEMBL13678571 0.74 KDM5A (0.38) TSHRALDH1A1KMT2ALMNAMEN1
SCHEMBL4504739 0.74 MAPK14 (0.46) TSHRALDH1A1OPRK1
SCHEMBL4520555 0.74 TP53 (0.44) TSHRALDH1A1KMT2ALMNAMEN1
SCHEMBL4498211 0.73 MAPK14 (0.45) ALDH1A1APLNROPRK1
SCHEMBL6471091 0.72 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ETP53ALOX15
SCHEMBL6471875 0.70 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAMEN1HTT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198276-B2 Kinase inhibitor compounds XCOVERY HOLDING COMPANY LLC (US) 2012-06-12 US disclosed
US-8198276-B2 Kinase inhibitor compounds XCOVERY HOLDING COMPANY LLC (US) 2012-06-12 US disclosed
US-8198276-B2 Kinase inhibitor compounds XCOVERY HOLDING COMPANY LLC (US) 2012-06-12 US disclosed
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20100144768-A1 KINASE INHIBITOR COMPOUNDS COMPASS HORIZON FUNDING COMPANY LLC 2010-06-10 US disclosed
US-20100144768-A1 KINASE INHIBITOR COMPOUNDS COMPASS HORIZON FUNDING COMPANY LLC 2010-06-10 US disclosed
US-20100144768-A1 KINASE INHIBITOR COMPOUNDS COMPASS HORIZON FUNDING COMPANY LLC 2010-06-10 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
WO-2007081901-A2 PYRIMIDINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 WO disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 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-20100144768-A1 KINASE INHIBITOR COMPOUNDS MAP3K9, MAP3K1, MAP3K8 TSHR 3934/4885ALDH1A1 3675/4885APLNR 3304/4885
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 TSHR 1455/4885ALDH1A1 874/4885APLNR 2394/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 TSHR 2512/4885ALDH1A1 550/4885APLNR 2765/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 TSHR 1455/4885ALDH1A1 874/4885APLNR 2394/4885

“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.