SCHEMBL15052899

SCHEMBL15052899

[2H]C([2H])(c1c[nH]c2ncccc12)n1ccc2c(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.52
STING1 Q86WV6 1/20 0.47
P2RY1 P47900 14/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
P2RY14 Q15391 2/20 0.43
GOT1 P17174 1/20 0.43
P2RY2 P41231 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
IGF1R P08069 1/20 0.41

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
SCHEMBL15054194 0.92 NTRK1 (0.43) NTRK1STING1P2RY1TRPV1
SCHEMBL3703952 0.92 NTRK1 (0.53) NTRK1STING1P2RY1NPC1RAB9A
Hydrochloric Acid SCHEMBL3705741 0.91 NTRK1 (0.53) NTRK1STING1P2RY1NPC1RAB9A
SCHEMBL15053108 0.90 SMN1; SMN2 (0.48) NTRK1P2RY1NPC1RAB9ATRPV1
SCHEMBL15052996 0.90 BRAF (0.50) NTRK1STING1P2RY1GOT1TRPV1
SCHEMBL15053102 0.89 KDR (0.44) NTRK1STING1P2RY1NPC1RAB9A
SCHEMBL15052778 0.89 NTRK1 (0.40) NTRK1STING1P2RY1P2RY14P2RY2
SCHEMBL15053586 0.88 RAB9A (0.44) NTRK1STING1P2RY1NPC1RAB9A
SCHEMBL15053584 0.88 MAPT (0.42) NTRK1P2RY1NPC1RAB9ATRPV1
SCHEMBL15052682 0.87 MAPT (0.43) TRPV1IGF1R

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 NTRK1 1407/4885STING1 2889/4885P2RY1 3772/4885

“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.