SCHEMBL485824

SCHEMBL485824

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2F)ccc1C(=O)NCCN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
KIT P10721 1/20 0.44
NAMPT P43490 5/20 0.42
HDAC1 Q13547 1/20 0.38
EGFR P00533 1/20 0.38
KCNH2 Q12809 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR4 Q13639 1/20 0.38
CHRNA7 P36544 1/20 0.38
PRMT3 O60678 1/20 0.37
IKBKB O14920 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
SCHEMBL486339 0.92 KIT (0.43) EPHX2KITNAMPTHDAC1EGFR
SCHEMBL485917 0.90 KIT (0.40) EPHX2KITNAMPTHDAC1IKBKB
SCHEMBL3054387 0.89 NAMPT (0.47) EPHX2KITNAMPTHDAC1KCNH2
SCHEMBL3050002 0.89 NAMPT (0.47) EPHX2KITNAMPTHDAC1KCNH2
SCHEMBL486194 0.88 KIT (0.39) EPHX2KITNAMPTHDAC1IKBKB
SCHEMBL3046413 0.88 NAMPT (0.46) EPHX2KITNAMPTHDAC1KCNH2
SCHEMBL485908 0.86 PIK3CA (0.41) EPHX2KITNAMPTKCNH2CHRNA7
SCHEMBL485903 0.86 PIK3CA (0.41) EPHX2KITNAMPTKCNH2CHRNA7
SCHEMBL485853 0.85 PIK3CA (0.41) EPHX2KITNAMPTKCNH2CHRNA7
SCHEMBL485801 0.83 KIT (0.37) EPHX2KITNAMPTKCNH2ADRA2A

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 EPHX2 1779/4885KIT 890/4885NAMPT 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.