SCHEMBL14739455

SCHEMBL14739455

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 3/20 0.36
DUSP3 P51452 1/20 0.36
PTPN11 Q06124 1/20 0.36
HTT P42858 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MARS1 P56192 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
EIF4E P06730 1/20 0.34
HTR2B P41595 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL14740472 0.89 EIF4E (0.35) ALDH1A1KMT2AKDM4CEIF4ESMN1; SMN2
SCHEMBL14739355 0.86 KMT2A (0.41) ALDH1A1TP53RXRARXRBMEN1
SCHEMBL14739693 0.85 ALDH1A1 (0.48) JAK2JAK1TYK2ALDH1A1RAB9A
SCHEMBL14739667 0.83 CYP1A2 (0.52) RAB9ANPC1POLBSLC2A1TSHR
SCHEMBL14740395 0.82 SLC2A1 (0.47) ALDH1A1TP53MEN1KMT2ALMNA
SCHEMBL14740783 0.82 DPP4 (0.48) ALDH1A1RAB9AHTTMEN1KMT2A
SCHEMBL14739452 0.78 ALDH1A1 (0.37) JAK2JAK1TYK2ALDH1A1TP53
SCHEMBL14740467 0.76 PDE4B (0.46) ALDH1A1TP53PDE4D
SCHEMBL14740056 0.75 ALDH1A1 (0.47) JAK2JAK1TYK2ALDH1A1TP53
SCHEMBL14740475 0.74 SMN1; SMN2 (0.50) JAK2JAK1TYK2ALDH1A1TP53

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 JAK2 2077/4885JAK1 3732/4885TYK2 2808/4885

“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.