SCHEMBL3707797

SCHEMBL3707797

O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
P2RY1 P47900 3/20 0.45
RIPK1 Q13546 2/20 0.45
GOT1 P17174 1/20 0.45
BRAF P15056 3/20 0.44
KDR P35968 2/20 0.44
MAPK14 Q16539 1/20 0.44
TNNI3K Q59H18 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
IDH1 O75874 1/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 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 SCHEMBL3706731 0.99 TRPV1 (0.49) TRPV1P2RY1RIPK1GOT1BRAF
SCHEMBL15053340 0.92 TRPV1 (0.48) TRPV1P2RY1RIPK1GOT1BRAF
SCHEMBL3705702 0.92 BRAF (0.51) TRPV1P2RY1GOT1BRAFMAPT
Hydrochloric Acid SCHEMBL3710714 0.91 BRAF (0.51) TRPV1P2RY1GOT1BRAFMAPT
SCHEMBL3710695 0.89 RIPK1 (0.49) P2RY1RIPK1BRAFKDR
SCHEMBL3699567 0.89 PTGER3 (0.47) TRPV1P2RY1RIPK1BRAFKDM4E
SCHEMBL3713779 0.89 NTRK1 (0.45) TRPV1P2RY1BRAFKDR
SCHEMBL3708996 0.88 BRAF (0.54) TRPV1BRAFKDRMAPK14TNNI3K
Hydrochloric Acid SCHEMBL3700291 0.88 PTGER3 (0.46) TRPV1P2RY1RIPK1BRAFKDM4E
Hydrochloric Acid SCHEMBL3699079 0.88 NTRK1 (0.44) TRPV1P2RY1BRAFKDR

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 TRPV1 4841/4885P2RY1 441/4885RIPK1 3075/4885

“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.