SCHEMBL476382

SCHEMBL476382

CCNc1nc(Cl)ccc1C(=O)NC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 2/20 0.36
PLK1 P53350 3/20 0.36
CASP1 P29466 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ULK1 O75385 1/20 0.34
CHRNA7 P36544 1/20 0.34
STAT6 P42226 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL720894 0.84 GABRP (0.42) PGK1MAPTGAAALDH1A1KMT2A
SCHEMBL1801333 0.83 MAPT (0.41) PGK1MAPTKMT2ACHRNA7
Fluoride SCHEMBL3339659 0.83 GABRP (0.41) PGK1MAPTGAAALDH1A1KMT2A
SCHEMBL486056 0.82 MAPT (0.40) PGK1MAPTCASP1ALDH1A1KMT2A
SCHEMBL3057584 0.81 L3MBTL1 (0.40) CYP1A2
SCHEMBL13189895 0.81 GAA (0.38) PGK1MAPTGAACYP2C9PLK1
SCHEMBL3060372 0.80 KDR (0.48) STAT6
SCHEMBL25142605 0.79 CYP2C9 (0.41) GAACYP2C9
SCHEMBL15635052 0.78 MEN1 (0.42) PGK1MAPTKMT2A
SCHEMBL6221826 0.76 GRM5 (0.45) ALDH1A1CHRNA7

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 8 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-20120053209-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-01 US disclosed
US-20120053209-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-01 US disclosed
US-20120053209-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-01 US disclosed
EP-2411364-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109115-A1 ANTICANCER COMPOUNDS, 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 (3 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 PGK1 807/4885MAPT 2632/4885GAA 645/4885
US-20120053209-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NADK PGK1 822/4885MAPT 2535/4885GAA 559/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 PGK1 3129/4885MAPT 2785/4885GAA 730/4885

“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.