SCHEMBL2065337

SCHEMBL2065337

CC(C)Oc1ccc(C(=O)NC2CCCn3c2nc(-c2ccncc2)cc3=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.42
TP53 P04637 3/20 0.42
THRB P10828 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
ADCY1 Q08828 1/20 0.38
MAPT P10636 4/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NAMPT P43490 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2065134 0.85 GSK3B (0.46) NPC1HPGDRAB9ATP53THRB
SCHEMBL2064928 0.84 KDM5A (0.41) ALDH1A1LMNAKMT2AMAPT
SCHEMBL2065321 0.83 KDM4E (0.43) NPC1RAB9AKMT2AKDM4E
SCHEMBL3375649 0.80 GSK3B (0.40) MAPK1
SCHEMBL4386108 0.79 RAB9A (0.41) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL4385754 0.79 HPGD (0.54) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL2066272 0.79 GRM5 (0.50) NPC1RAB9A
SCHEMBL2065605 0.79 BRAF (0.39) LMNA
SCHEMBL4390474 0.78 ALDH1A1 (0.46) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL2065326 0.78 KMT2A (0.46) ALDH1A1LMNAKMT2APOLBMAPT

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
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US claimed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP claimed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US claimed
EP-1957492-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES sanofi-aventis (FR) 2008-08-20 EP claimed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP claimed
WO-2007057790-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-05-24 WO claimed
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US disclosed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP disclosed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP 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-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES GSK3B, GSK3A, PSEN1 SMN1; SMN2 581/4885NPC1 1296/4885HPGD 1551/4885

“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.