SCHEMBL15053299

SCHEMBL15053299

[2H]C([2H])([2H])Oc1ccc(NC(=O)Nc2cccc3c2ccn3C([2H])([2H])c2ccnc3[nH]ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.40
KDR P35968 2/20 0.40
MAPK14 Q16539 1/20 0.40
TNNI3K Q59H18 1/20 0.40
CIT O14578 2/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
MECP2 P51608 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP3K7 O43318 1/20 0.38
ROCK2 O75116 1/20 0.37
AURKA O14965 5/20 0.37
AURKB Q96GD4 5/20 0.37
MET P08581 4/20 0.37
LYN P07948 1/20 0.37
IGF1R P08069 1/20 0.37
ROCK1 Q13464 1/20 0.37
INCENP Q9NQS7 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL15053283 0.95 MAPT (0.43) BRAFKDRMAPK14TNNI3KCIT
SCHEMBL15053152 0.92 BRAF (0.45) BRAFKDRMAPK14TNNI3KCIT
SCHEMBL15053419 0.90 HPGD (0.39) BRAFKDRMAPK14TNNI3KCIT
SCHEMBL15052740 0.89 RAB9A (0.41) BRAFKDRMAPK14TNNI3KMAPK1
SCHEMBL15052754 0.89 BRAF (0.38) BRAFKDRMAPK14TNNI3KCIT
SCHEMBL15053584 0.89 MAPT (0.42) BRAFMAPTTP53MAPK1MECP2
SCHEMBL15053075 0.89 MAPT (0.39) BRAFCITMAPTTP53SMN1; SMN2
SCHEMBL15053289 0.88 AURKA (0.44) BRAFKDRMAPK14TNNI3KCIT
SCHEMBL15053102 0.88 KDR (0.44) BRAFKDRMAPK14TNNI3KIGF1R
SCHEMBL15053228 0.88 FPR2 (0.39) BRAFKDRMAPK14TNNI3KMAPT

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 90/4885KDR 1965/4885MAPK14 113/4885

“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.