SCHEMBL15053374

SCHEMBL15053374

[2H]C([2H])(c1ccnc2[nH]ccc12)n1ccc2c(NC(=O)Nc3cccc(Cl)c3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.47
PTGER3 P43115 1/20 0.44
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
TRPV1 Q8NER1 1/20 0.41
BTK Q06187 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CDK8 P49336 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 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
SCHEMBL3702027 0.91 BRAF (0.49) BRAFPTGER3KMT2AMEN1TRPV1
SCHEMBL15053686 0.91 MAPT (0.41) BRAFKMT2AMEN1TRPV1BTK
Hydrochloric Acid SCHEMBL3699312 0.91 BRAF (0.48) BRAFPTGER3KMT2AMEN1TRPV1
SCHEMBL15053289 0.90 AURKA (0.44) BRAFKMT2AMEN1BTKMAPT
SCHEMBL15053328 0.90 PTGER3 (0.43) BRAFPTGER3KMT2ATRPV1KDR
SCHEMBL15053467 0.90 PTGER3 (0.43) BRAFPTGER3KMT2AMEN1TRPV1
SCHEMBL15053730 0.90 PTGER3 (0.43) BRAFPTGER3TRPV1BTKKDR
SCHEMBL15053505 0.89 BRAF (0.39) BRAFPTGER3KMT2AMEN1TRPV1
Hydrochloric Acid SCHEMBL15053371 0.89 PTGER3 (0.43) BRAFPTGER3KMT2ATRPV1KDR
Hydrochloric Acid SCHEMBL15053625 0.88 BRAF (0.38) BRAFPTGER3KMT2AMEN1TRPV1

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 90/4885PTGER3 3994/4885KMT2A 834/4885

“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.