SCHEMBL21561820

SCHEMBL21561820

COCCCOC(=O)c1cc2ccncc2c(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.43
▸ CFD P00746 1/20 0.42
▸ CYP3A4 P08684 2/20 0.39
▸ GLS O94925 3/20 0.38
▸ ACACB O00763 2/20 0.37
▸ ACACA Q13085 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ PPID Q08752 1/20 0.37
▸ CREBBP Q92793 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ LATS1 O95835 1/20 0.35
▸ LATS2 Q9NRM7 1/20 0.35

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
SCHEMBL21455335 0.89 PPID (0.45) NAMPTCFDCYP3A4GLSACACB
SCHEMBL21455344 0.85 CFD (0.47) NAMPTCFDCYP3A4GLSACACB
SCHEMBL21455345 0.77 CFD (0.59) NAMPTCFDCYP3A4GLSBRD4
SCHEMBL29095029 0.76 CFD (0.52) NAMPTCFDCYP3A4GLSACACB
SCHEMBL25879657 0.74 CFD (0.48) CFDCYP1A2PPID
SCHEMBL301717 0.71 PRMT6 (0.56) NAMPTCYP3A4GLSCYP2C9BRD4
SCHEMBL24299792 0.71 NAMPT (0.48) NAMPTCYP3A4GLSACACBACACA
SCHEMBL21561948 0.71 WDR5 (0.39) NAMPTGLSBRD4CREBBP
SCHEMBL23425556 0.71 BRD4 (0.44) NAMPTCYP3A4GLSACACBACACA
SCHEMBL25879656 0.69 CFD (0.53) CFD

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-11021458-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
US-20190345135-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-11-14 — — 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-11021458-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP NAMPT 126/4885CFD 17/4885CYP3A4 123/4885
US-20190345135-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP NAMPT 126/4885CFD 17/4885CYP3A4 123/4885

“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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