SCHEMBL168089

SCHEMBL168089

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3cc(F)ccc3OC)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
ROCK1 Q13464 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 2/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 2/20 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
SCHEMBL168336 0.95 KMT2A (0.37) MAPTKMT2AMEN1HTTIRAK4
SCHEMBL167481 0.92 MAPT (0.43) MAPTKMT2AMEN1ROCK1ALDH1A1
SCHEMBL168756 0.91 PKM (0.45) MAPTKMT2AMEN1HTTIRAK4
SCHEMBL166765 0.91 ALDH1A1 (0.48) MAPTKMT2AMEN1HTTROCK1
SCHEMBL165575 0.90 EPHB4 (0.46) MAPTKMT2AMEN1IRAK4ALDH1A1
Ji-101 SCHEMBL165822 0.90 EPHB4 (0.44) MAPTKMT2AMEN1HTTIRAK4
SCHEMBL167503 0.90 KDR (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL168314 0.89 EPHB4 (0.45) MAPTKMT2AMEN1IRAK4ALDH1A1
SCHEMBL167748 0.87 ROCK1 (0.39) MAPTKMT2AMEN1ROCK1ALDH1A1
SCHEMBL167346 0.86 BUB1 (0.43) MAPTKMT2AMEN1HTTROCK1

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 4 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
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO 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 MAPT 1276/4885KMT2A 834/4885MEN1 3044/4885

“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.