SCHEMBL4347102

SCHEMBL4347102

O=C(c1ccncc1)c1ccc2cc[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LTA4H P09960 1/20 0.40
LMNA P02545 1/20 0.40
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MPO P05164 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2A6 P11509 1/20 0.37
AXL P30530 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
SCHEMBL4345671 0.85 CNR2 (0.56) MEN1KMT2ACNR2ALDH1A1KDM4E
SCHEMBL27732331 0.84 AXL (0.41) CNR2ALDH1A1KDM4EAXLNUDT1
SCHEMBL1855794 0.75 MGAM (0.46) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL23970943 0.74 CDK8 (0.41) ALDH1A1KDM4EAXLNUDT1NTRK1
SCHEMBL19463620 0.74 PIM1 (0.43) LMNAALDH1A1KDM4EAXLNUDT1
SCHEMBL23093275 0.74 NPC1 (0.45) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL19539184 0.71 CDK8 (0.43) ALDH1A1AXLNUDT1GAANTRK1
SCHEMBL30166596 0.71 CDK8 (0.43) ALDH1A1AXLNUDT1GAANTRK1
SCHEMBL1161415 0.71 CDK8 (0.43) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL30487055 0.71 CDK8 (0.43) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274674-A1 Heterocyclic Oxime Compounds, Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2009-11-05 US disclosed
EP-1966204-A1 NOVEL HETEROCYCLIC OXIME DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2008-09-10 EP disclosed
WO-2007077313-A1 NOVEL HETEROCYCLIC OXIME DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2007-07-12 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-20090274674-A1 Heterocyclic Oxime Compounds, Process for Their Preparation and Pharmaceutical Compositions Containing Them CYP3A4, CYP2C19, CYP3A43 MEN1 1433/4885KMT2A 1942/4885LTA4H 2812/4885

“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.