SCHEMBL167322

SCHEMBL167322

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3ccccc3C(F)(F)F)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 4/20 0.42
AURKB Q96GD4 2/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NTRK2 Q16620 2/20 0.39
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NTRK1 P04629 1/20 0.39
PLK4 O00444 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
ROS1 P08922 1/20 0.39
FGFR1 P11362 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
SCHEMBL168329 0.91 CLK4 (0.39) KDM4EMEN1KMT2ATRPV1AURKB
SCHEMBL164013 0.88 RAB9A (0.40) KDM4EMEN1KMT2AAURKBAURKA
SCHEMBL165165 0.88 TRPV1 (0.46) MEN1KMT2ATRPV1AURKBAURKA
SCHEMBL168670 0.87 MAPT (0.40) KDM4EMEN1KMT2ATRPV1ROCK2
SCHEMBL167806 0.87 TRPV1 (0.48) MEN1KMT2ATRPV1AURKBAURKA
SCHEMBL165831 0.87 NAMPT (0.40) KDM4ETRPV1AURKANTRK1FGFR1
SCHEMBL166419 0.86 NR1I2 (0.41) KDM4EMEN1KMT2ATRPV1AURKB
SCHEMBL167501 0.86 DDX3X (0.41) KDM4EMEN1KMT2AALDH1A1TP53
SCHEMBL167600 0.86 EPHB4 (0.39) KDM4EMEN1KMT2ATRPV1ALDH1A1
SCHEMBL167970 0.86 RIPK1 (0.47) LCKCSF1RFLT1FLT4KDR

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 KDM4E 900/4885MEN1 3044/4885KMT2A 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.