SCHEMBL29882418

SCHEMBL29882418

O=C(NCc1ccncc1)Nc1ccc(-c2n[nH]c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 17/20 1.00
▸ ROCK2 O75116 1/20 0.64
▸ ROCK1 Q13464 1/20 0.64
▸ HTT P42858 1/20 0.62
▸ MAPK3 P27361 1/20 0.56
▸ MAPK1 P28482 1/20 0.56

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
SCHEMBL20379744 1.00 NAMPT (1.00) NAMPTROCK2ROCK1HTTMAPK3
SCHEMBL29882094 0.83 NAMPT (1.00) NAMPTROCK2
SCHEMBL20379987 0.83 NAMPT (1.00) NAMPTROCK2
SCHEMBL10269652 0.82 NAMPT (0.70) NAMPTROCK2ROCK1MAPK3MAPK1
SCHEMBL20380035 0.81 NAMPT (1.00) NAMPT
SCHEMBL29881696 0.81 NAMPT (1.00) NAMPT
SCHEMBL4525925 0.79 ROCK2 (1.00) NAMPTROCK2ROCK1HTTMAPK1
SCHEMBL7701855 0.78 NAMPT (0.64) NAMPTROCK2ROCK1HTT
SCHEMBL11616834 0.78 HTT (1.00) NAMPTROCK2ROCK1HTT
SCHEMBL29882324 0.76 NAMPT (1.00) NAMPTROCK2ROCK1HTT

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
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 — — US disclosed
US-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-27 — — 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 (2 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-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT NAMPT 1/4885ROCK2 2967/4885ROCK1 3446/4885
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT NAMPT 1/4885ROCK2 2967/4885ROCK1 3446/4885

“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.

Send feedback