SCHEMBL6345971

SCHEMBL6345971

COc1cc2c(Cl)c(NC(=O)OC(C)(C)C)cnc2cc1OCCCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 10/20 0.53
EHMT1 Q9H9B1 9/20 0.53
KDR P35968 5/20 0.52
FLT1 P17948 4/20 0.52
FLT4 P35916 4/20 0.52
NSD2 O96028 1/20 0.52
SRC P12931 2/20 0.51
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
AURKA O14965 1/20 0.49
SPIN1 Q9Y657 1/20 0.48
PDGFRB P09619 1/20 0.48

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
SCHEMBL31554483 0.84 MALT1 (0.45) KDR
SCHEMBL7160706 0.84 MALT1 (0.45) KDR
SCHEMBL6336698 0.80 EHMT2 (0.57) EHMT2EHMT1SRCABL1BCR
SCHEMBL6343993 0.77 EHMT2 (0.68) EHMT2EHMT1SRCABL1BCR
SCHEMBL6335566 0.77 EGFR (0.60) EHMT2EHMT1KDRFLT1FLT4
SCHEMBL6337389 0.77 EHMT2 (0.52) EHMT2EHMT1KDRSRCABL1
SCHEMBL6338535 0.75 SRC (0.70) SRCABL1BCRPDGFRB
SCHEMBL6343101 0.73 EHMT2 (0.58) EHMT2EHMT1SRCABL1BCR
SCHEMBL6334819 0.72 SRC (0.53) EHMT2EHMT1KDRFLT1FLT4
SCHEMBL2924110 0.72 ENPP1 (0.64) EHMT2EHMT1KDRFLT1FLT4

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 4072/4885EHMT1 4143/4885KDR 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.