SCHEMBL3050002

SCHEMBL3050002

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)ccc1C(=O)NCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.47
KIT P10721 1/20 0.45
ATR Q13535 3/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR4 Q13639 1/20 0.42
HDAC1 Q13547 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3054387 1.00 NAMPT (0.47) NAMPTKITATRADRA2AADRA2B
SCHEMBL3046413 0.99 NAMPT (0.46) NAMPTKITATRADRA2AADRA2B
SCHEMBL3054878 0.93 NAMPT (0.41) NAMPTKITATRADRA2AADRA2B
SCHEMBL3057571 0.93 NAMPT (0.48) NAMPTEPHX2
SCHEMBL3051338 0.92 NAMPT (0.48) NAMPTATRADRA2AADRA2BKCNH2
SCHEMBL3047217 0.92 NAMPT (0.41) NAMPTKITATRHDAC1
SCHEMBL3051319 0.92 NAMPT (0.40) NAMPTKITATRHDAC1
SCHEMBL3044903 0.92 NAMPT (0.47) NAMPTATRADRA2AADRA2BKCNH2
SCHEMBL3053585 0.91 NAMPT (0.47) NAMPTATRADRA2AADRA2BKCNH2
SCHEMBL3053090 0.91 NAMPT (0.47) NAMPTATRADRA2AADRA2BKCNH2

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-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
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 NAMPT 2/4885KIT 2745/4885ATR 3443/4885

“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.