SCHEMBL3048503

SCHEMBL3048503

CCNc1nc(-c2ccc(NC(=O)NCc3cncc(F)c3)cc2)ccc1C(=O)NCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.50
KCNH2 Q12809 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR4 Q13639 1/20 0.45
EPHX2 P34913 2/20 0.45
CYP2C9 P11712 1/20 0.44
HTR3A P46098 1/20 0.42
SCN9A Q15858 2/20 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
SCHEMBL3053504 0.92 NAMPT (0.49) NAMPTKCNH2ADRA2AADRA2BHTR4
SCHEMBL3044891 0.91 NAMPT (0.48) NAMPTKCNH2ADRA2AADRA2BHTR4
SCHEMBL486297 0.91 NAMPT (0.41) NAMPTKCNH2ADRA2AADRA2BHTR4
SCHEMBL3051516 0.88 NAMPT (0.51) NAMPT
SCHEMBL3053585 0.87 NAMPT (0.47) NAMPTKCNH2ADRA2AADRA2BHTR4
SCHEMBL3058510 0.87 NAMPT (0.51) NAMPT
SCHEMBL485898 0.87 NAMPT (0.39) NAMPTKCNH2EPHX2SCN9A
SCHEMBL3051338 0.86 NAMPT (0.48) NAMPTKCNH2ADRA2AADRA2BHTR4
SCHEMBL3048779 0.85 ATR (0.45) NAMPTKCNH2ADRA2AADRA2BHTR4
SCHEMBL3044903 0.85 NAMPT (0.47) NAMPTKCNH2ADRA2AADRA2BHTR4

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 4 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
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 2/4885KCNH2 2187/4885ADRA2A 1494/4885

“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.