SCHEMBL3699570

SCHEMBL3699570

O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.51
RIPK1 Q13546 7/20 0.43
KDR P35968 2/20 0.42
EPHB4 P54760 1/20 0.42
TEK Q02763 1/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 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
SCHEMBL15053782 0.92 BRAF (0.50) BRAFRIPK1KDREPHB4TEK
SCHEMBL3708996 0.89 BRAF (0.54) BRAFKDRTEKMAPK14TNNI3K
SCHEMBL3699583 0.89 JAK2 (0.40) BRAF
SCHEMBL3703821 0.89 TRPV1 (0.48) BRAFKDRMAPK14TNNI3K
Hydrochloric Acid SCHEMBL3700993 0.89 BRAF (0.53) BRAFKDRTEKMAPK14TNNI3K
SCHEMBL3710695 0.89 RIPK1 (0.49) BRAFRIPK1KDREPHB4TEK
SCHEMBL3714983 0.88 BRAF (0.39) BRAFKDR
Hydrochloric Acid SCHEMBL3703860 0.88 FGFR1 (0.39) BRAF
SCHEMBL3697706 0.88 KDR (0.44) BRAFKDR
Hydrochloric Acid SCHEMBL3703864 0.88 TRPV1 (0.47) BRAFKDRMAPK14TNNI3K

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 114/4885RIPK1 3075/4885KDR 9/4885

“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.