SCHEMBL14739475

SCHEMBL14739475

CCOC(=O)c1c(-c2cc(Cl)ccc2Cl)nc2cccnn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.51
PDE4B Q07343 8/20 0.46
PDE4D Q08499 8/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 1/20 0.42
PDE4C Q08493 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL14740467 0.83 PDE4B (0.46) PDE4APDE4BPDE4DPDE4C
SCHEMBL14740062 0.82 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19MAPK1SMN1; SMN2
SCHEMBL14739667 0.80 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19MAPK1SMN1; SMN2
SCHEMBL23013504 0.79 PDE4A (0.54) PDE4APDE4BPDE4DCYP1A2CYP2C9
SCHEMBL23023734 0.79 PDE4A (0.51) PDE4APDE4BPDE4DCYP1A2CYP2C9
SCHEMBL20580269 0.78 CYP1A2 (0.66) PDE4ACYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL14739524 0.78 GAA (0.52) CYP1A2CYP2C9CYP2C19MAPK1SMN1; SMN2
SCHEMBL25527779 0.76 PDE4A (0.65) PDE4ACYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL14739289 0.76 KDM4E (0.63) CYP1A2CYP2C9CYP2C19MAPK1SMN1; SMN2
SCHEMBL2925379 0.74 PDE4A (0.48) PDE4APDE4BPDE4DCYP1A2CYP2C9

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 8 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-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO 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 PDE4A 274/4885PDE4B 358/4885PDE4D 284/4885

“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.