SCHEMBL25717271

SCHEMBL25717271

C=C(O)CCc1c(C)[nH]c(/C=C2\C(=O)Nc3ccccc32)c1C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.82
▸ FGFR1 P11362 14/20 0.82
▸ PDGFRB P09619 14/20 0.82
▸ RET P07949 3/20 0.82
▸ FLT3 P36888 3/20 0.82
▸ AURKA O14965 2/20 0.82
▸ FLT1 P17948 2/20 0.82
▸ MAP4K2 Q12851 2/20 0.82
▸ STK3 Q13188 2/20 0.82
▸ AURKB Q96GD4 2/20 0.82
▸ ALK Q9UM73 2/20 0.82
▸ GAK O14976 1/20 0.82
▸ RPS6KA5 O75582 1/20 0.82
▸ RPS6KA4 O75676 1/20 0.82
▸ LATS1 O95835 1/20 0.82
▸ CSNK2A2 P19784 1/20 0.82
▸ MAP2K2 P36507 1/20 0.82
▸ ZAP70 P43403 1/20 0.82
▸ MAP2K1 Q02750 1/20 0.82
▸ STK4 Q13043 1/20 0.82

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
Orantinib SCHEMBL134661 0.90 FGFR1 (1.00) KDRFGFR1PDGFRBRETFLT3
Orantinib SCHEMBL134662 0.90 FGFR1 (1.00) KDRFGFR1PDGFRBRETFLT3
Orantinib SCHEMBL29354645 0.90 FGFR1 (1.00) KDRFGFR1PDGFRBRETFLT3
Orantinib SCHEMBL900355 0.90 FGFR1 (1.00) KDRFGFR1PDGFRBRETFLT3
SCHEMBL12020869 0.88 KDR (0.84) KDRFGFR1PDGFRBRETFLT3
SCHEMBL16366587 0.85 KDR (0.76) KDRFGFR1PDGFRBRETFLT3
SCHEMBL13497857 0.85 KDR (0.79) KDRFGFR1PDGFRBRETFLT3
SCHEMBL26023377 0.85 KDR (0.79) KDRFGFR1PDGFRBRETFLT3
SCHEMBL12596436 0.84 KDR (0.74) KDRFGFR1PDGFRBRETFLT3
SCHEMBL16366048 0.84 KDR (0.74) KDRFGFR1PDGFRBRETFLT3

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-20230181528-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA THE BROAD INSTITUTE, INC. (US) 2023-06-15 — — 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-20230181528-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA VPS4B, ATG4A, ATG4B KDR 4203/4885FGFR1 4308/4885PDGFRB 3933/4885

“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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