SCHEMBL3713779

SCHEMBL3713779

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.45
BRAF P15056 3/20 0.42
P2RY1 P47900 3/20 0.42
NAMPT P43490 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
FLT3 P36888 1/20 0.40
PDPK1 O15530 1/20 0.40
CFD P00746 2/20 0.40
KDR P35968 2/20 0.40
PTGER3 P43115 1/20 0.40
STING1 Q86WV6 1/20 0.39

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 SCHEMBL3699079 0.99 NTRK1 (0.44) NTRK1BRAFP2RY1NAMPTTRPV1
SCHEMBL15054194 0.93 NTRK1 (0.43) NTRK1BRAFP2RY1NAMPTTRPV1
SCHEMBL3703952 0.93 NTRK1 (0.53) NTRK1P2RY1TRPV1STING1
Hydrochloric Acid SCHEMBL3705741 0.92 NTRK1 (0.53) NTRK1P2RY1TRPV1STING1
SCHEMBL3696934 0.90 BRAF (0.44) BRAFNAMPTFLT3KDRPTGER3
SCHEMBL3709404 0.89 PTGER3 (0.49) TRPV1PTGER3
SCHEMBL3699351 0.89 NTRK1 (0.41) NTRK1P2RY1NAMPTTRPV1CFD
SCHEMBL3707797 0.89 TRPV1 (0.49) BRAFP2RY1TRPV1KDR
Hydrochloric Acid SCHEMBL3697629 0.89 NTRK1 (0.41) NTRK1P2RY1NAMPTTRPV1CFD
Hydrochloric Acid SCHEMBL3695606 0.89 PTGER3 (0.49) TRPV1PTGER3

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 817/4885BRAF 114/4885P2RY1 441/4885

“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.