SCHEMBL479776

SCHEMBL479776

CNC(=O)c1ccc(Cl)nc1Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CXCR2 P25025 1/20 0.42
MKNK2 Q9HBH9 1/20 0.41
DHODH Q02127 1/20 0.41
ULK1 O75385 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
PTK2 Q05397 1/20 0.41
PLK1 P53350 2/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40

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
SCHEMBL10250568 0.85 STAT6 (0.51) GAALMNAPOLBSMN1; SMN2PIM1
SCHEMBL25941912 0.85 KMT2A (0.43) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL479544 0.84 DHODH (0.57) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL27389234 0.79 DHODH (0.41) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL23629001 0.76 PIM1 (0.45) PDE4BMEN1KMT2AMKNK2PIM1
SCHEMBL476382 0.76 PGK1 (0.38) KMT2AMAPTALDH1A1GAALMNA
SCHEMBL18357348 0.75 EGFR (0.59) PDE4BMKNK2PTK2JAK2TYK2
SCHEMBL31601222 0.75 GAA (0.45) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL27389248 0.75 GAA (0.45) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3058844 0.74 SLC6A12 (0.44) MEN1KMT2AMAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
EP-2411367-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109123-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010109123-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US 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 (2 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-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT PDE4B 994/4885MEN1 677/4885KMT2A 1491/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 PDE4B 443/4885MEN1 1485/4885KMT2A 1349/4885

“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.