SCHEMBL168025

SCHEMBL168025

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3ccc(Cl)cc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
CNR1 P21554 5/20 0.39
EPHB4 P54760 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NAMPT P43490 1/20 0.38
KDR P35968 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IGF1R P08069 1/20 0.37
PTGER3 P43115 1/20 0.37
ROCK2 O75116 1/20 0.37
P2RY1 P47900 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
SCHEMBL166695 0.92 MEN1 (0.46) NPC1MAPTLMNARAB9AALDH1A1
SCHEMBL168670 0.92 MAPT (0.40) MAPTSMN1; SMN2HTTTRPV1MEN1
SCHEMBL167346 0.91 BUB1 (0.43) NPC1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL168209 0.91 KDR (0.37) NPC1MAPTLMNARAB9AHTT
SCHEMBL165124 0.91 RAB9A (0.43) MAPTRAB9AALDH1A1EPHB4MEN1
SCHEMBL165718 0.89 FGFR1 (0.40) SMN1; SMN2TRPV1EPHB4MEN1KMT2A
SCHEMBL166419 0.89 NR1I2 (0.41) NPC1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL165126 0.89 SMN1; SMN2 (0.42) MAPTLMNASMN1; SMN2ALDH1A1EPHB4
SCHEMBL15077847 0.89 TRPV1 (0.46) MAPTLMNAHTTTRPV1EPHB4
SCHEMBL168978 0.89 ROCK2 (0.47) NPC1MAPTSMN1; SMN2RAB9AALDH1A1

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 NPC1 3123/4885MAPT 1276/4885LMNA 2436/4885

“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.