SCHEMBL981300

SCHEMBL981300

COc1ccc(-c2ccc(C(C)(C)NC(C)=O)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
ACACB O00763 4/20 0.44
ADORA3 P0DMS8 2/20 0.43
DGAT1 O75907 1/20 0.42
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
FYN P06241 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 2/20 0.40
CHEK1 O14757 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HSP90AA1 P07900 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
SCHEMBL14809489 0.84 TP53 (0.41) RXFP1ACACBSMN1; SMN2NPC1RAB9A
SCHEMBL9910804 0.78 RXFP1 (0.54) RXFP1CASP3SENP7SENP8SENP6
SCHEMBL9910805 0.76 RXFP1 (0.51) RXFP1CASP3SENP7SENP8SENP6
SCHEMBL913930 0.74 RXFP1 (0.53) RXFP1CASP3SENP7SENP8SENP6
SCHEMBL30739004 0.74 RXFP1 (0.53) RXFP1CASP3SENP7SENP8SENP6
SCHEMBL17752214 0.72 RXFP1 (0.50) RXFP1CASP3SENP7SENP8SENP6
SCHEMBL14809386 0.72 NPC1 (0.40) SMN1; SMN2NPC1RAB9AMAPK1RECQL
SCHEMBL6714830 0.72 RXFP1 (0.75) RXFP1DGAT1SMN1; SMN2CYP1A2NPC1
SCHEMBL608849 0.71 ACACB (0.44) ACACBSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL14808848 0.71 ACACB (0.44) ACACBSMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448584-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-12-31 EP disclosed
EP-2448584-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-12-31 EP disclosed
US-8372857-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-12 US disclosed
US-8372857-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-12 US disclosed
CN-102802628-A Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME 2012-11-28 CN disclosed
US-20120142694-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2012-06-07 US disclosed
US-20120142694-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2012-06-07 US disclosed
EP-2448584-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2012-05-09 EP disclosed
WO-2011002624-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2011-01-06 WO disclosed
WO-2011002624-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2011-01-06 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 (1 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-20120142694-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES HIF1AN, EGLN2, EGLN3 RXFP1 1606/4885ACACB 2603/4885ADORA3 3499/4885

“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.