SCHEMBL3057571

SCHEMBL3057571

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)ccc1C(=O)NCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.48
PIK3CA P42336 4/20 0.44
MTOR P42345 4/20 0.44
EPHX2 P34913 6/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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) NAMPTEPHX2CNR1
SCHEMBL3054387 0.93 NAMPT (0.47) NAMPTEPHX2
SCHEMBL3050002 0.93 NAMPT (0.47) NAMPTEPHX2
SCHEMBL3054878 0.92 NAMPT (0.41) NAMPTPIK3CAMTOREPHX2
SCHEMBL3047217 0.91 NAMPT (0.41) NAMPTPIK3CAMTOR
SCHEMBL3051319 0.91 NAMPT (0.40) NAMPTPIK3CAMTOR
SCHEMBL3055649 0.89 NAMPT (0.41) NAMPTMTOR
SCHEMBL3061361 0.88 NAMPT (0.40) NAMPTPIK3CAMTOR
SCHEMBL3054524 0.86 HDAC1 (0.46) NAMPTPOLB
SCHEMBL3051338 0.85 NAMPT (0.48) NAMPTEPHX2POLB

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 2/4885PIK3CA 1063/4885MTOR 2266/4885

“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.