SCHEMBL6337390

SCHEMBL6337390

CCOC(=O)c1cnc2cc(OCCCC3CCCNC3)c(OC)cc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ DPP4 P27487 5/20 0.42
▸ ACP1 P24666 4/20 0.41
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ EHMT2 Q96KQ7 3/20 0.39
▸ KIT P10721 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.37

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
SCHEMBL6592750 0.91 DPP4 (0.42) KDM4EALDH1A1NPSR1DPP4ACP1
SCHEMBL6336695 0.90 ACP1 (0.41) ACP1EHMT2KITPDGFRBIRAK4
SCHEMBL6591706 0.82 EHMT2 (0.44) ACP1EHMT2KIT
SCHEMBL6336434 0.82 EHMT2 (0.44) ACP1EHMT2KIT
SCHEMBL6343097 0.82 ACP1 (0.42) ACP1EHMT2KITPDGFRBIRAK4
SCHEMBL6337395 0.81 KDM4E (0.45) KDM4EALDH1A1NPSR1DPP4MAPT
SCHEMBL6336770 0.81 KDM4E (0.40) KDM4EDPP4ACP1EHMT2
SCHEMBL6338533 0.80 SRC (0.51) EHMT2KITPDGFRBIRAK4
SCHEMBL2921747 0.80 DPP4 (0.58) KDM4EALDH1A1NPSR1DPP4MAPT
SCHEMBL30449564 0.80 DPP4 (0.58) KDM4EALDH1A1NPSR1DPP4MAPT

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 KDM4E 3084/4885ALDH1A1 3336/4885NPSR1 335/4885

“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.

Send feedback