SCHEMBL3694052

SCHEMBL3694052

O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.48
TRPV1 Q8NER1 1/20 0.45
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
P2RY1 P47900 3/20 0.44
RIPK1 Q13546 3/20 0.43
GOT1 P17174 1/20 0.43
BRAF P15056 2/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
IDH1 O75874 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL15053280 0.92 TRPV1 (0.44) KDRTRPV1HTR2AHTR7HTR6
SCHEMBL3705882 0.92 BRAF (0.49) TRPV1HTR2AHTR7HTR6P2RY1
SCHEMBL3700886 0.90 RIPK1 (0.47) KDRHTR2AHTR7HTR6P2RY1
SCHEMBL3709379 0.90 HTR1A (0.43) TRPV1HTR2AHTR7HTR6P2RY1
SCHEMBL3705672 0.89 P2RY1 (0.45) P2RY1BRAF
SCHEMBL3709668 0.89 KDR (0.52) KDRTRPV1RIPK1GOT1BRAF
SCHEMBL3703082 0.88 DRD4 (0.45) HTR2AHTR7HTR6
SCHEMBL3713909 0.88 KMT2A (0.43) KDRHTR2AHTR7HTR6P2RY1
SCHEMBL3701249 0.88 STING1 (0.46) TRPV1HTR2AHTR7HTR6GOT1
SCHEMBL3706319 0.88 RIPK1 (0.41) KDRTRPV1HTR2AHTR7HTR6

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 KDR 9/4885TRPV1 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.