SCHEMBL486297

SCHEMBL486297

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4B Q07343 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
KCNH2 Q12809 3/20 0.38
CHRNA7 P36544 1/20 0.38
EPHX2 P34913 2/20 0.38
SCN9A Q15858 2/20 0.38
IKBKB O14920 1/20 0.38
TGFBR1 P36897 1/20 0.37
TGFBR2 P37173 1/20 0.37
MAP4K4 O95819 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR4 Q13639 1/20 0.37

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 0.96 NAMPT (0.39) NAMPTMEN1KMT2APDE4BADORA2A
SCHEMBL485906 0.94 MEN1 (0.40) NAMPTMEN1KMT2APDE4BADORA2A
SCHEMBL486392 0.93 MEN1 (0.39) NAMPTMEN1KMT2APDE4BADORA2A
SCHEMBL486210 0.91 NAMPT (0.51) NAMPTMEN1KMT2APDE4BADORA2A
SCHEMBL3048503 0.91 NAMPT (0.50) NAMPTKCNH2EPHX2SCN9AADRA2A
SCHEMBL486437 0.88 TRPV1 (0.41) NAMPTMEN1KMT2AKCNH2CHRNA7
SCHEMBL486031 0.88 MAP4K4 (0.40) MEN1KMT2AKCNH2CHRNA7EPHX2
SCHEMBL485903 0.88 PIK3CA (0.41) NAMPTMEN1KMT2AKCNH2CHRNA7
SCHEMBL485908 0.88 PIK3CA (0.41) NAMPTMEN1KMT2AKCNH2CHRNA7
SCHEMBL486108 0.88 IKBKB (0.41) NAMPTMEN1KMT2APDE4BADORA2A

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 NAMPT 1/4885MEN1 560/4885KMT2A 2289/4885

“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.