SCHEMBL14740334

SCHEMBL14740334

CCOC(=O)c1c(-c2cc(F)ccc2Cl)nc2ccncn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.46
DBF4 Q9UBU7 4/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 2/20 0.38
TSHR P16473 2/20 0.38
GCGR P47871 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 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
SCHEMBL14739667 0.91 CYP1A2 (0.52) CDC7DBF4CYP1A2CYP2C19CYP2C9
SCHEMBL14739556 0.85 CYP1A2 (0.53) CDC7DBF4CYP1A2CYP2C19CYP2C9
SCHEMBL14740472 0.84 EIF4E (0.35) CDC7DBF4SMN1; SMN2MAPK14ALDH1A1
SCHEMBL14744678 0.79 KDM4E (0.60) CDC7DBF4CYP1A2CYP2C19CYP2C9
SCHEMBL14739524 0.76 GAA (0.52) CDC7DBF4CYP1A2CYP2C19CYP2C9
SCHEMBL20579735 0.76 CYP1A2 (0.72) CDC7DBF4CYP1A2CYP2C19CYP2C9
SCHEMBL14740062 0.76 CYP1A2 (0.65) CYP1A2CYP2C19CYP2C9SMN1; SMN2NPC1
SCHEMBL30765413 0.73 CYP1A2 (0.43) CYP1A2CYP2C19CYP2C9SMN1; SMN2NPC1
SCHEMBL14739475 0.71 PDE4A (0.51) CDC7DBF4CYP1A2CYP2C19CYP2C9
SCHEMBL14740847 0.70 CYP1A2 (0.70) CDC7DBF4CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 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 (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-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR3 CDC7 4053/4885DBF4 3777/4885CYP1A2 1164/4885

“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.