SCHEMBL31596982

SCHEMBL31596982

N#C/N=C(\NCCCCC1CCN(C(=O)c2ccc(O)cc2)CC1)Nc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 17/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ MGLL Q99685 1/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ CDK2 P24941 1/20 0.39
▸ FLT4 P35916 1/20 0.39

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
SCHEMBL19834836 0.93 NAMPT (0.58) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL31596799 0.88 NAMPT (0.51) NAMPTCYP3A4CYP2C9
SCHEMBL25642250 0.88 NAMPT (0.53) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL25643926 0.88 NAMPT (0.53) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL25223204 0.88 NAMPT (0.53) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL25228399 0.88 NAMPT (0.53) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL25643875 0.88 NAMPT (0.53) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL25642286 0.88 NAMPT (0.53) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL31596955 0.87 NAMPT (0.51) NAMPTCYP3A4CYP2C9
SCHEMBL19834806 0.85 NAMPT (0.46) NAMPTCYP3A4CYP2C9CDK2FLT4

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
WO-2025109097-A2 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2025-05-30 — — WO disclosed
US-20250171419-A1 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2025-05-29 — — 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-20250171419-A1 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF NAMPT, NAPRT, NNMT NAMPT 1/4885CYP3A4 3597/4885CYP2C9 3303/4885

“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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