SCHEMBL14739667

SCHEMBL14739667

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CDC7 O00311 2/20 0.45
DBF4 Q9UBU7 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPK1 P28482 1/20 0.43
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL14740334 0.91 CDC7 (0.46) CYP1A2CYP2C9CYP2C19CDC7DBF4
SCHEMBL14739556 0.88 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CDC7DBF4
SCHEMBL14739524 0.85 GAA (0.52) CYP1A2CYP2C9CYP2C19CDC7DBF4
SCHEMBL14740062 0.85 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1
SCHEMBL14739455 0.83 JAK2 (0.40) SMN1; SMN2NPC1RAB9APOLBTSHR
SCHEMBL14739693 0.81 ALDH1A1 (0.48) CYP1A2CYP2C19NPC1RAB9ADPP4
SCHEMBL14739475 0.80 PDE4A (0.51) CYP1A2CYP2C9CYP2C19CDC7DBF4
SCHEMBL14739289 0.79 KDM4E (0.63) CYP1A2CYP2C9CYP2C19CDC7DBF4
SCHEMBL20579735 0.78 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19CDC7DBF4
SCHEMBL30765413 0.76 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1

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 CYP1A2 1164/4885CYP2C9 3119/4885CYP2C19 1864/4885

“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.