SCHEMBL14739693

SCHEMBL14739693

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
SCN10A Q9Y5Y9 2/20 0.38
ALPL P05186 2/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
DPP4 P27487 1/20 0.35
RORC P51449 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34

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 0.85 JAK2 (0.40) ALDH1A1POLBJAK2JAK1TYK2
SCHEMBL14740261 0.84 ALDH1A1 (0.55) ALDH1A1GAAPOLBKDM4EMAPT
SCHEMBL14739667 0.81 CYP1A2 (0.52) POLBKDM4EMAPTNPC1RAB9A
SCHEMBL14752208 0.77 EPHB2 (0.46) ALDH1A1GAAPOLBJAK2JAK1
SCHEMBL14740475 0.77 SMN1; SMN2 (0.50) ALDH1A1GAAJAK2JAK1TYK2
SCHEMBL14740472 0.75 EIF4E (0.35) ALDH1A1GAAKMT2A
SCHEMBL14739452 0.74 ALDH1A1 (0.37) ALDH1A1GAAJAK2JAK1TYK2
SCHEMBL14740334 0.72 CDC7 (0.46) ALDH1A1GAAKDM4ENPC1RAB9A
SCHEMBL14739355 0.72 KMT2A (0.41) ALDH1A1GAAKDM4EALPLKMT2A
SCHEMBL22627394 0.70 NR1I3 (0.46) KDM4ECYP1A2CYP3A4HPGD

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 ALDH1A1 2048/4885GAA 1998/4885POLB 4295/4885

“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.