SCHEMBL15053740

SCHEMBL15053740

[2H]C([2H])(c1ccnc2[nH]ccc12)N1CCc2c(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.48
RIPK1 Q13546 5/20 0.42
KDR P35968 3/20 0.39
MAPK14 Q16539 1/20 0.39
TNNI3K Q59H18 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
EPHB4 P54760 1/20 0.39
TEK Q02763 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
SCHEMBL3694810 0.92 BRAF (0.49) BRAFRIPK1KDRMAPK14TNNI3K
SCHEMBL15052843 0.91 BRAF (0.45) BRAFRIPK1KDRMAPK14TNNI3K
SCHEMBL15053469 0.90 KDR (0.51) BRAFRIPK1KDRMAPK14TNNI3K
SCHEMBL15054097 0.90 BRAF (0.38) BRAF
SCHEMBL15054306 0.90 BRAF (0.43) BRAFKDRMAPK14TNNI3KCYP2D6
SCHEMBL15053308 0.89 RIPK1 (0.46) BRAFRIPK1KDR
Hydrochloric Acid SCHEMBL15053595 0.89 BRAF (0.37) BRAF
SCHEMBL15053898 0.89 KDR (0.41) BRAFKDR
SCHEMBL15053835 0.89 BRAF (0.37) BRAFKDRCYP2C9
SCHEMBL15053943 0.89 BTK (0.41) BRAFCYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 BRAF 90/4885RIPK1 438/4885KDR 1965/4885

“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.