SCHEMBL486392

SCHEMBL486392

CCNc1nc(-c2ccc(NC(=O)NCc3cncc(N)c3)c(F)c2)ccc1C(=O)NCCN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE4B Q07343 4/20 0.39
ADORA2B P29275 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
NAMPT P43490 3/20 0.39
MAP4K4 O95819 2/20 0.38
CHRNA7 P36544 1/20 0.38
KCNH2 Q12809 1/20 0.38
EPHX2 P34913 2/20 0.37
IKBKB O14920 1/20 0.37
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
SCN9A Q15858 1/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL485898 0.97 NAMPT (0.39) MEN1KMT2APDE4BADORA2BADORA2A
SCHEMBL486297 0.93 NAMPT (0.41) MEN1KMT2APDE4BADORA2BADORA2A
SCHEMBL485906 0.92 MEN1 (0.40) MEN1KMT2APDE4BADORA2BADORA2A
SCHEMBL486210 0.90 NAMPT (0.51) MEN1KMT2APDE4BADORA2BADORA2A
SCHEMBL3044891 0.89 NAMPT (0.48) NAMPTCHRNA7KCNH2EPHX2ATR
SCHEMBL486031 0.89 MAP4K4 (0.40) MEN1KMT2AMAP4K4CHRNA7KCNH2
SCHEMBL485903 0.89 PIK3CA (0.41) MEN1KMT2ANAMPTMAP4K4CHRNA7
SCHEMBL485908 0.89 PIK3CA (0.41) MEN1KMT2ANAMPTMAP4K4CHRNA7
SCHEMBL485853 0.88 PIK3CA (0.41) MEN1KMT2ANAMPTMAP4K4CHRNA7
SCHEMBL486437 0.87 TRPV1 (0.41) MEN1KMT2ANAMPTMAP4K4CHRNA7

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 4 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
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 MEN1 560/4885KMT2A 2289/4885PDE4B 604/4885

“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.