SCHEMBL23318279

SCHEMBL23318279

C#CCNC(=O)c1ccc2c(c1)c1ccccc1n2C(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 9/20 0.44
▸ NPY5R Q15761 1/20 0.43
▸ MAP2K7 O14733 1/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ FNTA P49354 4/20 0.41
▸ FNTB P49356 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40

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
SCHEMBL31662502 0.78 KDM4E (0.61) PTGDR2KDM4ECNR2
SCHEMBL23306643 0.78 KDM4E (0.61) PTGDR2KDM4ECNR2
SCHEMBL23318377 0.75 POLB (0.39) KDM4E
SCHEMBL23318257 0.74 RORC (0.38) RORCNPY5RPTGDR2CNR2
SCHEMBL811819 0.74 POLB (0.55) KDM4E
SCHEMBL32689427 0.74 POLB (0.55) KDM4E
SCHEMBL23318348 0.73 CREBBP (0.51) FNTAFNTBKDM4E
SCHEMBL23318385 0.71 CNR2 (0.50) CNR2
SCHEMBL23318338 0.70 POLB (0.39) —
SCHEMBL11846379 0.70 KRAS (0.43) RORCNPY5RPTGDR2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145782-A1 p53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-11 — — US disclosed
US-20230145782-A1 p53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-11 — — US disclosed
WO-2021087096-A1 P53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-06 — — WO 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-20230145782-A1 p53 MODULATORS AND USES THEREOF TP53, TP53BP1, MDM2 RORC 3664/4885NPY5R 4719/4885MAP2K7 4037/4885

“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