SCHEMBL15053308

SCHEMBL15053308

[2H]C([2H])(c1c[nH]c2ncccc12)N1CCc2c(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 9/20 0.46
BRAF P15056 7/20 0.45
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
P2RY1 P47900 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
KDR P35968 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
SCHEMBL3700886 0.92 RIPK1 (0.47) RIPK1BRAFHTR2AHTR7HTR6
SCHEMBL15053500 0.91 BRAF (0.49) RIPK1BRAFHTR2AHTR7HTR6
SCHEMBL15053280 0.90 TRPV1 (0.44) RIPK1BRAFHTR2AHTR7HTR6
SCHEMBL15052475 0.90 HTR1A (0.40) RIPK1BRAFHTR2AHTR7HTR6
SCHEMBL15053304 0.90 BRAF (0.41) BRAFHTR2AHTR7HTR6P2RY1
SCHEMBL15053740 0.89 BRAF (0.48) RIPK1BRAFKDR
SCHEMBL15053384 0.89 BRAF (0.41) BRAFHTR2AHTR7KDR
SCHEMBL15052967 0.89 HTR2A (0.39) RIPK1BRAFHTR2AHTR7HTR6
SCHEMBL15053139 0.89 HTR1A (0.46) BRAFHTR2AHTR7HTR6P2RY1
SCHEMBL15053552 0.87 FGFR1 (0.41) RIPK1BRAFHTR2AHTR7HTR6

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 90/4885HTR2A 2861/4885

“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.