SCHEMBL480705

SCHEMBL480705

Nc1ccc(CNC(=O)N[C@H]2CC[C@@H](c3ccc(C(=O)NCCN4CCCCC4)c(Nc4ccccc4)n3)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.40
NAMPT P43490 2/20 0.39
KIT P10721 1/20 0.38
AURKA O14965 1/20 0.37
ERBB2 P04626 1/20 0.37
EPHX1 P07099 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HPGD P15428 1/20 0.36
IKBKB O14920 2/20 0.36
SUV39H1 O43463 1/20 0.36
MCHR1 Q99705 1/20 0.36
PPIB P23284 1/20 0.36

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
SCHEMBL480804 1.00 ATR (0.40) ATRNAMPTKITAURKAERBB2
SCHEMBL480706 1.00 ATR (0.40) ATRNAMPTKITAURKAERBB2
SCHEMBL13190371 1.00 ATR (0.40) ATRNAMPTKITAURKAERBB2
SCHEMBL480423 0.90 MAPT (0.39) MEN1POLBKMT2A
SCHEMBL480424 0.90 MAPT (0.39) MEN1POLBKMT2A
SCHEMBL13190368 0.86 NAMPT (0.45) ATRNAMPTHTR1ADRD2HTR2A
SCHEMBL3434854 0.85 TP53 (0.37) HTR1ADRD2HTR2ADRD3MAPK14
SCHEMBL2119985 0.84 MEN1 (0.43) ATRMEN1POLBKMT2AIKBKB
SCHEMBL2119989 0.84 MEN1 (0.43) ATRMEN1POLBKMT2AIKBKB
SCHEMBL480648 0.83 TGFBR1 (0.37) MEN1POLBKMT2A

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 claimed
EP-2411367-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP claimed
WO-2010109123-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO claimed
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
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

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-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT ATR 3372/4885NAMPT 1/4885KIT 1641/4885

“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.