SCHEMBL6345735

SCHEMBL6345735

COc1cc2c(N3CCN(C(=O)O)C(C(C)(C)C)C3)c(C#N)cnc2cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
SRC P12931 1/20 0.50
KDR P35968 1/20 0.50
ENPP1 P22413 9/20 0.48
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR9 Q9NR96 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
PDGFRB P09619 3/20 0.43
KIT P10721 3/20 0.43
CHRM4 P08173 1/20 0.43

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
SCHEMBL6338215 0.88 MAPT (0.47) MAPTNPSR1TLR9TLR7PDGFRB
SCHEMBL29055088 0.87 ENPP1 (0.53) EGFRSRCKDRENPP1MAPT
SCHEMBL906243 0.83 KIT (0.59) PDGFRBKIT
SCHEMBL29055063 0.78 KIT (0.55) PDGFRBKIT
SCHEMBL19385231 0.77 TLR9 (0.62) MAPTNPSR1TLR9TLR7PDGFRB
SCHEMBL20838522 0.75 TLR9 (0.71) MAPTNPSR1TLR9TLR7PDGFRB
SCHEMBL20782651 0.74 ENPP1 (0.60) EGFRSRCKDRENPP1MAPT
SCHEMBL30445864 0.74 ENPP1 (0.60) EGFRSRCKDRENPP1MAPT
SCHEMBL20838519 0.74 TLR9 (0.72) TLR9TLR7PDGFRBKIT
SCHEMBL15265722 0.73 EGFR (0.61) EGFRSRCKDRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960580-B2 Nitrogenous heterocyclic substituted quinoline compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-01 US disclosed
EP-1490362-A2 (HOMO)PIPERAZINE SUBSTITUTED QUINOLINES FOR INHIBITING THE PHOSPHORYLATION OF KINASES Millennium Pharmaceuticals, Inc. (US) 2004-12-29 EP disclosed
US-20030004158-A1 Nitrogen containing heterocyclic quinoline compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-01-02 US disclosed
WO-2002072578-A2 (HOMO) PIPERAZINE SUBSTITUTED QUINOLINES FOR INHIBITING THE PHOSPHORYLATION OF KINASES MILLENNIUM PHARMACEUTICALS (US) 2002-09-19 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-20030004158-A1 Nitrogen containing heterocyclic quinoline compounds WNK2, PDGFA, PDGFRA EGFR 172/4885SRC 228/4885KDR 45/4885

“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.