SCHEMBL6344436

SCHEMBL6344436

COc1cc2c(O)c(C#N)cnc2cc1OCCCC1CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 9/20 0.47
▸ ABL1 P00519 3/20 0.47
▸ ABL2 P42684 3/20 0.47
▸ EHMT2 Q96KQ7 3/20 0.44
▸ MAP2K1 Q02750 2/20 0.43
▸ ENPP1 P22413 4/20 0.42
▸ KIT P10721 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ FYN P06241 1/20 0.41

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
SCHEMBL6338533 0.89 SRC (0.51) SRCABL1ABL2EHMT2MAP2K1
SCHEMBL6343097 0.84 ACP1 (0.42) EHMT2ENPP1KIT
SCHEMBL6592750 0.81 DPP4 (0.42) EHMT2KIT
SCHEMBL6344434 0.79 SRC (0.42) SRCEHMT2MAP2K1ENPP1EGFR
SCHEMBL6591706 0.79 EHMT2 (0.44) SRCABL1ABL2EHMT2KIT
SCHEMBL6336434 0.79 EHMT2 (0.44) SRCABL1ABL2EHMT2KIT
SCHEMBL22589792 0.78 SRC (0.56) SRCABL1MAP2K1ENPP1EGFR
SCHEMBL6382288 0.78 EGFR (0.55) SRCABL1MAP2K1EGFRERBB2
SCHEMBL29363297 0.78 SRC (0.56) SRCABL1MAP2K1ENPP1EGFR
SCHEMBL4289138 0.78 EGFR (0.55) SRCABL1MAP2K1EGFRERBB2

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 SRC 228/4885ABL1 14/4885ABL2 240/4885

“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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