SCHEMBL167481

SCHEMBL167481

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3ccccc3OC)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ROCK1 Q13464 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 1/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
POLB P06746 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AHR P35869 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
SCHEMBL167748 0.95 ROCK1 (0.39) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL168089 0.92 MAPT (0.42) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL166765 0.91 ALDH1A1 (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL168756 0.91 PKM (0.45) MAPTLMNAALDH1A1MEN1KMT2A
Ji-101 SCHEMBL165822 0.91 EPHB4 (0.44) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL165575 0.91 EPHB4 (0.46) MAPTLMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL168314 0.90 EPHB4 (0.45) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL169268 0.89 PTGER3 (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL165831 0.89 NAMPT (0.40) MAPTROCK1KDM4EKDRPOLB
SCHEMBL167503 0.89 KDR (0.46) MAPTLMNAALDH1A1MEN1KMT2A

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 1276/4885LMNA 2436/4885GAA 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.