SCHEMBL23320548

SCHEMBL23320548

COCCOc1cccc(-c2cc3cc(NC(=O)NCc4ccncc4)ccc3n2C)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.52
▸ ROCK1 Q13464 1/20 0.52
▸ NAMPT P43490 15/20 0.51
▸ PTGES O14684 1/20 0.45

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
SCHEMBL30943181 1.00 ROCK2 (0.52) ROCK2ROCK1NAMPTPTGES
SCHEMBL23320580 0.84 NAMPT (0.59) ROCK2ROCK1NAMPT
SCHEMBL30943163 0.84 NAMPT (0.59) ROCK2ROCK1NAMPT
SCHEMBL30943169 0.81 NAMPT (0.51) NAMPT
SCHEMBL24042576 0.81 NAMPT (0.51) NAMPT
SCHEMBL24042574 0.81 NAMPT (0.54) ROCK2ROCK1NAMPT
SCHEMBL30943269 0.81 NAMPT (0.54) ROCK2ROCK1NAMPT
SCHEMBL24042594 0.80 NAMPT (0.51) ROCK2ROCK1NAMPT
SCHEMBL30943149 0.80 NAMPT (0.51) ROCK2ROCK1NAMPT
SCHEMBL23320485 0.75 CHEK1 (0.37) ROCK2ROCK1

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

“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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