SCHEMBL17486952

SCHEMBL17486952

Cc1cc2nccc(Oc3ccc(N)cc3)c2cc1O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 5/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ FGFR2 P21802 5/20 0.45
▸ KDR P35968 6/20 0.45
▸ MET P08581 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42

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
SCHEMBL17486951 0.95 FGFR2 (0.48) PDGFRAPDGFRBFGFR2KDRMET
SCHEMBL12663519 0.89 PDGFRA (0.51) PDGFRAPDGFRBFGFR2KDR
SCHEMBL16062321 0.85 PDGFRA (0.59) PDGFRAPDGFRBFGFR2KDRMET
SCHEMBL4141203 0.83 FGFR2 (0.60) PDGFRAPDGFRBFGFR2KDR
SCHEMBL13980801 0.81 PDGFRA (0.60) PDGFRAPDGFRBFGFR2KDR
SCHEMBL14540924 0.81 FGFR2 (0.54) PDGFRAPDGFRBFGFR2KDR
SCHEMBL12663357 0.81 PDGFRA (0.44) PDGFRAPDGFRBFGFR2KDRMET
SCHEMBL14540484 0.81 MET (0.44) PDGFRAPDGFRBFGFR2KDRMET
SCHEMBL14609453 0.81 PDGFRA (0.47) PDGFRAPDGFRBFGFR2KDRMET
SCHEMBL12663554 0.79 AXL (0.60) PDGFRAPDGFRBFGFR2KDRMET

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-20170087143-A1 Dosing of Cabozantinib Formulations EXELIXIS, INC. 2017-03-30 — — US disclosed
US-20160031818-A1 Metabolites of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide EXELIXIS, INC. 2016-02-04 — — 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-20170087143-A1 Dosing of Cabozantinib Formulations MET, ABL1, KRAS PDGFRA 25/4885PDGFRB 44/4885FGFR2 464/4885
US-20160031818-A1 Metabolites of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide IDH1, NTRK3, FGFR4 PDGFRA 14/4885PDGFRB 29/4885FGFR2 38/4885

“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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