SCHEMBL6343095

SCHEMBL6343095

CCC(Oc1cc2ncc(C(=O)O)c(O)c2cc1OC)C1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 7/20 0.38
▸ EHMT2 Q96KQ7 4/20 0.37
▸ MELK Q14680 1/20 0.37
▸ EGFR P00533 3/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ SYK P43405 3/20 0.35
▸ NUDT1 P36639 2/20 0.35

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
SCHEMBL6336693 0.90 EGFR (0.39) IRAK4EHMT2MELKEGFRERBB2
SCHEMBL6344434 0.84 SRC (0.42) EHMT2EGFRERBB2
SCHEMBL6337395 0.83 KDM4E (0.45) IRAK4EHMT2MELK
SCHEMBL6336432 0.79 EHMT2 (0.39) EHMT2EGFRERBB2SYK
SCHEMBL6343097 0.79 ACP1 (0.42) IRAK4EHMT2
SCHEMBL6338531 0.77 SRC (0.42) EHMT2EGFRERBB2
SCHEMBL6143695 0.75 EGFR (0.53) EGFRERBB2NUDT1
SCHEMBL6336773 0.72 KDM4E (0.40) —
SCHEMBL6334461 0.71 PDGFRB (0.59) —
SCHEMBL6592750 0.71 DPP4 (0.42) IRAK4EHMT2

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 IRAK4 2268/4885EHMT2 4072/4885MELK 1869/4885

“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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