SCHEMBL15053601

SCHEMBL15053601

[2H]C([2H])(c1c[nH]c2ncccc12)n1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 9/20 0.48
BRAF P15056 9/20 0.44
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41
P2RY1 P47900 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
SCHEMBL3710695 0.92 RIPK1 (0.49) RIPK1BRAFKDREPHB4TEK
SCHEMBL15053340 0.90 TRPV1 (0.48) RIPK1BRAFKDRP2RY1
SCHEMBL15053326 0.90 PDPK1 (0.39) RIPK1BRAF
SCHEMBL15052996 0.90 BRAF (0.50) RIPK1BRAFP2RY1
SCHEMBL15053798 0.89 KDR (0.43) RIPK1BRAFKDREPHB4TEK
SCHEMBL15053782 0.89 BRAF (0.50) RIPK1BRAFKDREPHB4TEK
SCHEMBL15052569 0.89 PDPK1 (0.39) RIPK1BRAF
SCHEMBL15053044 0.89 BRAF (0.43) BRAFKDR
SCHEMBL15053884 0.88 MAPT (0.42) BRAF
SCHEMBL15052945 0.88 KDR (0.40) RIPK1BRAFKDREPHB4TEK

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 RIPK1 438/4885BRAF 90/4885KDR 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.