SCHEMBL485973

SCHEMBL485973

Nc1ccc(CNC(=O)Nc2ccc(-c3ccc(C(=O)NC4CC4)c(NC4CC4)n3)cc2F)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
TYRO3 Q06418 11/20 0.42
MERTK Q12866 11/20 0.42
FLT3 P36888 10/20 0.42
GAS6 Q14393 10/20 0.42
HDAC1 Q13547 2/20 0.39
MAP4K4 O95819 1/20 0.39
NAMPT P43490 1/20 0.39
MAPK1 P28482 1/20 0.38
DGAT1 O75907 1/20 0.38
AXL P30530 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 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
SCHEMBL486117 0.98 ALOX5AP (0.44) ALOX5APFEN1TYRO3MERTKFLT3
SCHEMBL486043 0.92 TYRO3 (0.47) TYRO3MERTKFLT3GAS6AXL
SCHEMBL486036 0.91 TYRO3 (0.51) TYRO3MERTKFLT3GAS6AXL
SCHEMBL486114 0.89 MEN1 (0.41) TYRO3MERTKFLT3GAS6MAP4K4
SCHEMBL3050217 0.87 HDAC1 (0.47) TYRO3MERTKFLT3GAS6HDAC1
SCHEMBL3042675 0.85 NAMPT (0.45) ALOX5APFEN1TYRO3MERTKFLT3
SCHEMBL3719617 0.83 NAMPT (0.41) TYRO3MERTKFLT3GAS6HDAC1
SCHEMBL485974 0.81 HDAC1 (0.40) ALOX5APFEN1HDAC1NAMPTMAPK1
SCHEMBL486537 0.81 ALOX5AP (0.41) ALOX5APFEN1TYRO3MERTKFLT3
SCHEMBL485963 0.79 MTOR (0.45) HDAC1NAMPTMAPK1PIK3CAMTOR

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 ALOX5AP 1382/4885FEN1 1980/4885TYRO3 4038/4885

“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.