SCHEMBL3703952

SCHEMBL3703952

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.53
P2RY1 P47900 14/20 0.48
STING1 Q86WV6 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
P2RY14 Q15391 2/20 0.44
GOT1 P17174 1/20 0.44
P2RY2 P41231 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
Hydrochloric Acid SCHEMBL3705741 0.99 NTRK1 (0.53) NTRK1P2RY1STING1NPC1RAB9A
SCHEMBL3713779 0.93 NTRK1 (0.45) NTRK1P2RY1STING1TRPV1
SCHEMBL15052899 0.92 NTRK1 (0.52) NTRK1P2RY1STING1NPC1RAB9A
Hydrochloric Acid SCHEMBL3699079 0.92 NTRK1 (0.44) NTRK1P2RY1STING1TRPV1
SCHEMBL3705702 0.89 BRAF (0.51) P2RY1STING1GOT1TRPV1
SCHEMBL3703968 0.89 MAPT (0.49) NTRK1P2RY1NPC1RAB9ATRPV1
SCHEMBL3707202 0.89 KDR (0.46) NTRK1P2RY1STING1NPC1RAB9A
Hydrochloric Acid SCHEMBL3698985 0.88 MAPT (0.48) NTRK1P2RY1NPC1RAB9ATRPV1
Hydrochloric Acid SCHEMBL3710714 0.88 BRAF (0.51) P2RY1STING1GOT1TRPV1
SCHEMBL3699351 0.88 NTRK1 (0.41) NTRK1P2RY1P2RY14P2RY2TRPV1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US claimed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US claimed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 NTRK1 817/4885P2RY1 441/4885STING1 1679/4885

“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.