SCHEMBL14740475

SCHEMBL14740475

O=C(Nc1ccc(Cl)cc1)c1c(-c2ccccc2Cl)nc2ccncn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
KMT2A Q03164 5/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.48
GAA P10253 2/20 0.48
TP53 P04637 1/20 0.48
CNR1 P21554 2/20 0.45
MAPK1 P28482 3/20 0.44
JAK2 O60674 3/20 0.43
TYK2 P29597 3/20 0.43
JAK1 P23458 2/20 0.43
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
NT5E P21589 1/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 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
SCHEMBL14740343 0.87 GAA (0.51) SMN1; SMN2KMT2ARAB9ANPC1GPBAR1
SCHEMBL14744636 0.86 SMN1; SMN2 (0.67) SMN1; SMN2KMT2ARAB9ANPC1GPBAR1
SCHEMBL14739355 0.82 KMT2A (0.41) KMT2AGAATP53CNR1MAPK1
SCHEMBL14739693 0.77 ALDH1A1 (0.48) KMT2ARAB9ANPC1GAAJAK2
SCHEMBL14739556 0.76 CYP1A2 (0.53) SMN1; SMN2KMT2ARAB9ANPC1TP53
SCHEMBL14739455 0.74 JAK2 (0.40) SMN1; SMN2KMT2ARAB9ANPC1TP53
SCHEMBL14740779 0.73 GAA (0.53) SMN1; SMN2KMT2ARAB9ANPC1GPBAR1
SCHEMBL14740230 0.71 GAA (0.51) SMN1; SMN2KMT2ARAB9ANPC1GPBAR1
SCHEMBL14739998 0.71 GAA (0.51) SMN1; SMN2KMT2ARAB9ANPC1GPBAR1
SCHEMBL14739667 0.68 CYP1A2 (0.52) SMN1; SMN2RAB9ANPC1MAPK1KDM4E

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 SMN1; SMN2 3151/4885KMT2A 4374/4885RAB9A 1654/4885

“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.