SCHEMBL3055869

SCHEMBL3055869

CCNc1nc(-c2ccc(NC(=O)CCc3cccnc3)cc2)ccc1C(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.48
▸ KMT2A Q03164 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PSMB8 P28062 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ WNT1 P04628 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ADRA2B P18089 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL3060513 0.88 ROCK2 (0.45) NAMPTKMT2AMEN1ROCK2
SCHEMBL3054341 0.85 POLB (0.56) NAMPTKMT2AMEN1
SCHEMBL3055703 0.85 NAMPT (0.48) NAMPTKMT2AMEN1ROCK2LMNA
SCHEMBL3058637 0.81 POLB (0.58) NAMPTKMT2AMEN1SMN1; SMN2
SCHEMBL3050146 0.80 NAMPT (0.56) NAMPTKMT2AMEN1SMN1; SMN2
SCHEMBL3046590 0.79 NAMPT (0.51) NAMPT
SCHEMBL3046585 0.79 NAMPT (0.51) NAMPT
SCHEMBL3042684 0.79 POLB (0.54) NAMPTKMT2AMEN1ROCK2
SCHEMBL3052906 0.78 POLB (0.58) NAMPTKMT2AMEN1SMN1; SMN2CYP2C9
SCHEMBL3055841 0.78 POLB (0.55) NAMPTKMT2AMEN1ROCK2

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
CN-101808996-A Nicotinamide derivatives, their preparation and their use in therapeutics SANOFI AVENTIS 2010-08-18 — — CN claimed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 — — EP claimed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 — — WO claimed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 — — US disclosed
CN-101808996-A Nicotinamide derivatives, their preparation and their use in therapeutics SANOFI AVENTIS 2010-08-18 — — CN 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 2/4885KMT2A 1349/4885RAB9A 1217/4885

“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.

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