SCHEMBL3060513

SCHEMBL3060513

CCNc1nc(-c2ccc(NC(=O)NCCc3cccnc3)cc2)ccc1C(=O)NC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ NAMPT P43490 8/20 0.45
▸ POLB P06746 1/20 0.45
▸ PRMT3 O60678 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 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
SCHEMBL3054341 0.91 POLB (0.56) NAMPTPOLBKMT2AMEN1
SCHEMBL3055869 0.88 NAMPT (0.48) ROCK2NAMPTKMT2AMEN1
SCHEMBL3058637 0.87 POLB (0.58) NAMPTPOLBKMT2AMEN1
SCHEMBL3042673 0.86 NAMPT (0.52) ROCK2ROCK1NAMPTPOLBKMT2A
SCHEMBL3050146 0.85 NAMPT (0.56) NAMPTPOLBKMT2AMEN1
SCHEMBL3054189 0.84 NAMPT (0.53) NAMPTPOLBKMT2AMEN1
SCHEMBL3042684 0.84 POLB (0.54) ROCK2ROCK1NAMPTPOLBKMT2A
SCHEMBL3052786 0.83 POLB (0.53) NAMPTPOLBKMT2AMEN1
SCHEMBL3055703 0.83 NAMPT (0.48) ROCK2NAMPTPOLBKMT2AMEN1
SCHEMBL3049962 0.83 NAMPT (0.56) ROCK2ROCK1NAMPTPOLBKMT2A

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 3 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
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 ROCK2 1800/4885ROCK1 1990/4885NAMPT 2/4885

“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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