SCHEMBL3707598

SCHEMBL3707598

O=C(Nc1cccc(OC(F)(F)F)c1)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.43
KDR P35968 5/20 0.43
MAPK14 Q16539 1/20 0.43
TNNI3K Q59H18 1/20 0.43
P2RY1 P47900 11/20 0.41
BTK Q06187 1/20 0.40
MAP3K7 O43318 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL15053285 0.93 BRAF (0.42) BRAFKDRMAPK14TNNI3KP2RY1
SCHEMBL3700334 0.92 P2RY1 (0.48) P2RY1
SCHEMBL3705672 0.90 P2RY1 (0.45) BRAFP2RY1
SCHEMBL3698179 0.90 CYP2D6 (0.49) BRAFBTKMAP3K7CYP2D6CYP2C9
SCHEMBL3707216 0.89 P2RY1 (0.40) BRAFKDRMAPK14TNNI3KP2RY1
SCHEMBL3709668 0.88 KDR (0.52) BRAFKDRMAPK14TNNI3KCYP2D6
SCHEMBL3695095 0.87 BTK (0.43) BRAFKDRBTKMAP3K7CYP2C9
SCHEMBL3699381 0.86 AURKA (0.43) BRAFBTKMAP3K7CYP2C9
SCHEMBL3709205 0.86 BRAF (0.41) BRAFKDRBTKMAP3K7CYP2C9
SCHEMBL3703979 0.86 STING1 (0.42) BRAFBTKMAP3K7CYP2C9

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 114/4885KDR 9/4885MAPK14 1905/4885

“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.