SCHEMBL15077847

SCHEMBL15077847

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3cc(Cl)ccc3C)cccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
EPHB4 P54760 1/20 0.42
GAA P10253 3/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 7/20 0.40
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL165718 0.90 FGFR1 (0.40) TRPV1EPHB4GAATP53MEN1
SCHEMBL167501 0.90 DDX3X (0.41) TP53MAPTHTTMEN1KMT2A
SCHEMBL165575 0.89 EPHB4 (0.46) EPHB4TP53MAPTMEN1KMT2A
SCHEMBL168025 0.89 NPC1 (0.43) TRPV1EPHB4MAPTHTTMEN1
Hydrochloric Acid SCHEMBL168314 0.88 EPHB4 (0.45) EPHB4TP53MAPTMEN1KMT2A
SCHEMBL166695 0.88 MEN1 (0.46) TRPV1EPHB4GAAMAPTHTT
SCHEMBL165500 0.88 EPHB4 (0.41) EPHB4TP53MAPTMEN1KMT2A
SCHEMBL166419 0.87 NR1I2 (0.41) TRPV1EPHB4MAPTHTTMEN1
SCHEMBL165124 0.85 RAB9A (0.43) EPHB4MAPTMEN1KMT2A
SCHEMBL168470 0.84 KDR (0.45) MAPTPKM

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 1 patent. 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 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 TRPV1 4297/4885EPHB4 3126/4885GAA 2720/4885

“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.