SCHEMBL15053367

SCHEMBL15053367

[2H]C([2H])(c1ccnc2[nH]ccc12)n1ccc2c(NC(=O)Nc3ccc(F)cc3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.39
AURKA O14965 8/20 0.39
AURKB Q96GD4 8/20 0.39
MAPT P10636 2/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39
TNNI3K Q59H18 1/20 0.39
BTK Q06187 1/20 0.38
LYN P07948 1/20 0.38
IGF1R P08069 1/20 0.38
ROCK1 Q13464 1/20 0.38
INCENP Q9NQS7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
STING1 Q86WV6 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
SCHEMBL15053289 0.92 AURKA (0.44) METAURKAAURKBMAPTBRAF
SCHEMBL15053467 0.91 PTGER3 (0.43) RAB9AMAPTBRAFKDRMAPK14
SCHEMBL15053228 0.91 FPR2 (0.39) METRAB9AHTTAURKAAURKB
SCHEMBL15053686 0.91 MAPT (0.41) METRAB9AHTTAURKAAURKB
SCHEMBL15052740 0.91 RAB9A (0.41) METRAB9AAURKAAURKBBRAF
SCHEMBL3703541 0.91 RAB9A (0.41) METRAB9AHTTAURKAAURKB
SCHEMBL15053647 0.91 BRAF (0.46) RAB9AHTTAURKAAURKBMAPT
Hydrochloric Acid SCHEMBL3698924 0.90 RAB9A (0.41) METRAB9AHTTAURKAAURKB
SCHEMBL15053692 0.89 BTK (0.39) RAB9AAURKAAURKBMAPTBRAF
SCHEMBL15052937 0.89 SMN1; SMN2 (0.40) METAURKAAURKBMAPTBRAF

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 MET 646/4885RAB9A 2322/4885HTT 1392/4885

“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.