SCHEMBL25448323

SCHEMBL25448323

CCC(=O)CCC(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.82
▸ CYP2D6 P10635 3/20 0.82
▸ CYP2C9 P11712 3/20 0.82
▸ CYP2C19 P33261 3/20 0.82
▸ CYP1A2 P05177 2/20 0.82
▸ FGFR1 P11362 5/20 0.77
▸ STK10 O94804 2/20 0.77
▸ MAP4K4 O95819 2/20 0.77
▸ RET P07949 2/20 0.77
▸ PDGFRB P09619 2/20 0.77
▸ DDR1 Q08345 2/20 0.77
▸ SLK Q9H2G2 2/20 0.77
▸ NUAK2 Q9H093 1/20 0.77
▸ KDR P35968 16/20 0.72
▸ KCNH2 Q12809 3/20 0.72
▸ EPHB6 O15197 1/20 0.72
▸ RIPK2 O43353 1/20 0.72
▸ ABL1 P00519 1/20 0.72
▸ EGFR P00533 1/20 0.72
▸ LCK P06239 1/20 0.72

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
SCHEMBL23685375 0.93 CYP3A4 (0.83) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL23685279 0.93 CYP3A4 (0.83) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL14387702 0.90 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL25450294 0.89 CYP3A4 (0.76) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL13412331 0.88 CYP3A4 (0.91) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL25450292 0.87 CYP3A4 (0.83) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
Brivanib Alaninate SCHEMBL13108648 0.87 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
Brivanib Alaninate SCHEMBL483382 0.87 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
Brivanib Alaninate SCHEMBL18319845 0.87 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
Brivanib Alaninate SCHEMBL28365380 0.87 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 — — 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-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS GLS, ATP6V1B1, KRAS CYP3A4 4339/4885CYP2D6 3295/4885CYP2C9 4256/4885

“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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