SCHEMBL485922

SCHEMBL485922

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ncc1C(=O)NCCN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
NAMPT P43490 5/20 0.40
PIK3CA P42336 4/20 0.39
MTOR P42345 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNA7 P36544 1/20 0.38
KCNH2 Q12809 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
EPHX2 P34913 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
SCN9A Q15858 1/20 0.37
HDAC1 Q13547 1/20 0.37
IKBKB O14920 1/20 0.37
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL485908 0.90 PIK3CA (0.41) KITNAMPTPIK3CAMTORMEN1
SCHEMBL485903 0.90 PIK3CA (0.41) KITNAMPTPIK3CAMTORMEN1
SCHEMBL3717766 0.90 KIT (0.36) KITNAMPTPIK3CAMTORMEN1
SCHEMBL486431 0.90 MEN1 (0.41) KITNAMPTMEN1KMT2ATRPV1
SCHEMBL485853 0.90 PIK3CA (0.41) KITNAMPTPIK3CAMTORMEN1
SCHEMBL485943 0.89 ATR (0.43) KITNAMPTMEN1KMT2ATRPV1
SCHEMBL485895 0.88 PIK3CA (0.44) KITNAMPTPIK3CAMTORMEN1
SCHEMBL486093 0.87 PIK3CA (0.39) KITNAMPTPIK3CAMTORMEN1
SCHEMBL485940 0.86 KCNH2 (0.41) KITNAMPTPIK3CAMTORCHRNA7
SCHEMBL485905 0.86 KCNH2 (0.42) KITNAMPTPIK3CAMTORCHRNA7

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 3 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

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 890/4885NAMPT 1/4885PIK3CA 293/4885

“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.