SCHEMBL3047217

SCHEMBL3047217

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)ccc1C(=O)NCCN1CC[S+]([O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.41
HDAC1 Q13547 1/20 0.40
KIT P10721 1/20 0.39
ATR Q13535 2/20 0.36
PIK3CA P42336 4/20 0.35
MTOR P42345 4/20 0.35
ROCK2 O75116 1/20 0.34
PDPK1 O15530 1/20 0.34

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
SCHEMBL3046413 0.93 NAMPT (0.46) NAMPTHDAC1KITATR
SCHEMBL3050002 0.92 NAMPT (0.47) NAMPTHDAC1KITATR
SCHEMBL3054387 0.92 NAMPT (0.47) NAMPTHDAC1KITATR
SCHEMBL3054878 0.91 NAMPT (0.41) NAMPTHDAC1KITATRPIK3CA
SCHEMBL3057571 0.91 NAMPT (0.48) NAMPTPIK3CAMTOR
SCHEMBL3051319 0.90 NAMPT (0.40) NAMPTHDAC1KITATRPIK3CA
SCHEMBL485926 0.89 PIK3CA (0.39) NAMPTHDAC1KITPIK3CAMTOR
SCHEMBL3061361 0.87 NAMPT (0.40) NAMPTHDAC1KITATRPIK3CA
SCHEMBL3055649 0.86 NAMPT (0.41) NAMPTHDAC1KITMTORROCK2
SCHEMBL3054524 0.86 HDAC1 (0.46) NAMPTHDAC1ROCK2PDPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US claimed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 NAMPT 2/4885HDAC1 84/4885KIT 2745/4885

“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.