SCHEMBL23320533

SCHEMBL23320533

O=C(NCc1ccncc1)Nc1ccc2cn(-c3cccc(OC(F)F)c3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.75
▸ ROCK2 O75116 3/20 0.49
▸ ROCK1 Q13464 2/20 0.49
▸ IMPDH2 P12268 1/20 0.46

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
SCHEMBL30943229 1.00 NAMPT (0.75) NAMPTROCK2ROCK1IMPDH2
SCHEMBL24042588 0.89 NAMPT (0.77) NAMPTROCK2ROCK1
SCHEMBL23320389 0.86 NAMPT (1.00) NAMPTROCK2ROCK1IMPDH2
SCHEMBL30943213 0.82 NAMPT (0.75) NAMPT
SCHEMBL23320417 0.82 NAMPT (0.75) NAMPT
SCHEMBL28629417 0.82 NAMPT (0.58) NAMPTROCK2ROCK1IMPDH2
SCHEMBL23320367 0.76 NAMPT (0.81) NAMPTROCK2ROCK1IMPDH2
SCHEMBL30943200 0.74 NAMPT (0.67) NAMPTIMPDH2
SCHEMBL24042559 0.74 NAMPT (0.67) NAMPTIMPDH2
SCHEMBL11713731 0.71 IMPDH2 (0.74) NAMPTROCK2ROCK1IMPDH2

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-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 — — US disclosed
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP 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-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, ABAT NAMPT 1/4885ROCK2 1964/4885ROCK1 2070/4885

“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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