SCHEMBL3705702

SCHEMBL3705702

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.51
TRPV1 Q8NER1 3/20 0.48
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
STING1 Q86WV6 1/20 0.46
P2RY1 P47900 11/20 0.44
MAPT P10636 1/20 0.42
CSF1R P07333 1/20 0.42
KIT P10721 1/20 0.42
GOT1 P17174 1/20 0.42

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 SCHEMBL3710714 0.99 BRAF (0.51) BRAFTRPV1HTR2AHTR7HTR6
SCHEMBL3707797 0.92 TRPV1 (0.49) BRAFTRPV1P2RY1MAPTGOT1
SCHEMBL15052996 0.92 BRAF (0.50) BRAFTRPV1HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL3706731 0.91 TRPV1 (0.49) BRAFTRPV1P2RY1MAPTGOT1
SCHEMBL3705879 0.90 RAB9A (0.46) BRAFHTR2AHTR7STING1P2RY1
Hydrochloric Acid SCHEMBL3697415 0.90 RAB9A (0.45) BRAFHTR2AHTR7STING1P2RY1
SCHEMBL3705574 0.89 MAPT (0.44) BRAFHTR2AHTR7P2RY1MAPT
SCHEMBL3703952 0.89 NTRK1 (0.53) TRPV1STING1P2RY1GOT1
SCHEMBL3710695 0.89 RIPK1 (0.49) BRAFHTR2AHTR7HTR6P2RY1
SCHEMBL3703390 0.89 DRD2 (0.45) BRAFSTING1MAPTGOT1

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 BRAF 114/4885TRPV1 4841/4885HTR2A 1776/4885

“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.