SCHEMBL6336432

SCHEMBL6336432

CCC(Oc1cc2ncc(F)c(Cl)c2cc1OC)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 7/20 0.39
▸ KDR P35968 4/20 0.37
▸ EGFR P00533 2/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ FLT1 P17948 2/20 0.37
▸ FLT4 P35916 2/20 0.37
▸ SYK P43405 3/20 0.35
▸ EPHA2 P29317 3/20 0.35
▸ EPHB4 P54760 2/20 0.34
▸ KRAS P01116 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34

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
SCHEMBL6338531 0.86 SRC (0.42) EHMT2EGFRERBB2
SCHEMBL6336693 0.86 EGFR (0.39) EHMT2EGFRSYKERBB2
SCHEMBL6337395 0.84 KDM4E (0.45) EHMT2
SCHEMBL6343095 0.79 IRAK4 (0.38) EHMT2EGFRSYKERBB2
SCHEMBL6344434 0.79 SRC (0.42) EHMT2EGFRERBB2
SCHEMBL6336434 0.77 EHMT2 (0.44) EHMT2KDREGFRFGFR1FLT1
SCHEMBL935163 0.75 SLC6A2 (0.43) —
SCHEMBL935165 0.75 SLC6A2 (0.43) —
SCHEMBL2748840 0.73 EGFR (0.48) KDREGFRFGFR1FLT1FLT4
SCHEMBL30288418 0.73 EGFR (0.48) KDREGFRFGFR1FLT1FLT4

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 EHMT2 4072/4885KDR 45/4885EGFR 172/4885

“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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