SCHEMBL14739355

SCHEMBL14739355

O=C(O)c1c(-c2ccccc2Cl)nc2ccncn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
NAMPT P43490 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ALPL P05186 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL14739455 0.86 JAK2 (0.40) KMT2ATP53ALDH1A1MEN1LMNA
SCHEMBL14740472 0.83 EIF4E (0.35) KMT2AGAAALDH1A1CDC7DBF4
SCHEMBL14739951 0.82 NPC1 (0.48) KMT2AALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL14740475 0.82 SMN1; SMN2 (0.50) KMT2AGAATP53ALDH1A1MEN1
SCHEMBL14739556 0.82 CYP1A2 (0.53) KMT2ATP53ALDH1A1MEN1NPSR1
SCHEMBL14740343 0.77 GAA (0.51) KMT2AGAATP53ALDH1A1MEN1
SCHEMBL19700228 0.74 LTK (0.43) KMT2AALDH1A1MEN1CLK4TDP1
SCHEMBL14740783 0.73 DPP4 (0.48) KMT2AGAAALDH1A1MEN1NPSR1
SCHEMBL14739693 0.72 ALDH1A1 (0.48) KMT2AGAAALDH1A1MEN1CYP1A2
SCHEMBL14739782 0.70 DPP4 (0.45) KMT2AGAAALDH1A1NPSR1CYP1A2

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 KMT2A 4374/4885GAA 1998/4885TP53 4561/4885

“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.