SCHEMBL486194

SCHEMBL486194

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2F)ccc1C(=O)NCCN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
NAMPT P43490 6/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
IKBKB O14920 1/20 0.35
EPHX2 P34913 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
HDAC1 Q13547 1/20 0.34
ATR Q13535 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
SCHEMBL485917 0.90 KIT (0.40) KITTRPV1NAMPTMEN1KMT2A
SCHEMBL485903 0.88 PIK3CA (0.41) KITTRPV1NAMPTMEN1KMT2A
SCHEMBL485908 0.88 PIK3CA (0.41) KITTRPV1NAMPTMEN1KMT2A
SCHEMBL485824 0.88 EPHX2 (0.44) KITNAMPTIKBKBEPHX2HDAC1
SCHEMBL485853 0.88 PIK3CA (0.41) KITTRPV1NAMPTMEN1KMT2A
SCHEMBL486339 0.85 KIT (0.43) KITNAMPTIKBKBEPHX2PIK3CA
SCHEMBL486093 0.85 PIK3CA (0.39) KITNAMPTMEN1KMT2AIKBKB
SCHEMBL3050002 0.85 NAMPT (0.47) KITNAMPTEPHX2HDAC1ATR
SCHEMBL3054387 0.85 NAMPT (0.47) KITNAMPTEPHX2HDAC1ATR
SCHEMBL485940 0.84 KCNH2 (0.41) KITTRPV1NAMPTPIK3CAMTOR

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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US claimed
EP-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 EP claimed
WO-2010109122-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI-AVENTIS (FR) 2010-09-30 WO claimed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
EP-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109122-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS 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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 KIT 890/4885TRPV1 2810/4885NAMPT 1/4885

“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.