SCHEMBL6338533

SCHEMBL6338533

COc1cc2c(Cl)c(C#N)cnc2cc1OCCCC1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 15/20 0.51
▸ ABL1 P00519 6/20 0.51
▸ ABL2 P42684 5/20 0.51
▸ EHMT2 Q96KQ7 2/20 0.44
▸ BCR P11274 2/20 0.44
▸ MAP2K1 Q02750 2/20 0.43
▸ WEE2 P0C1S8 2/20 0.42
▸ WEE1 P30291 2/20 0.42
▸ PKMYT1 Q99640 2/20 0.42
▸ FYN P06241 2/20 0.42
▸ ENPP1 P22413 1/20 0.42
▸ STK25 O00506 1/20 0.42
▸ CIT O14578 1/20 0.42
▸ RIOK3 O14730 1/20 0.42
▸ MAP2K7 O14733 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ CASK O14936 1/20 0.42
▸ GAK O14976 1/20 0.42
▸ EPHB6 O15197 1/20 0.42
▸ MAP3K13 O43283 1/20 0.42

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
SCHEMBL6344436 0.89 SRC (0.47) SRCABL1ABL2EHMT2MAP2K1
SCHEMBL6336434 0.86 EHMT2 (0.44) SRCABL1ABL2EHMT2EGFR
SCHEMBL6591706 0.86 EHMT2 (0.44) SRCABL1ABL2EHMT2KIT
SCHEMBL4492078 0.83 SRC (0.51) SRCABL1ABL2BCRMAP2K1
SCHEMBL6336695 0.83 ACP1 (0.41) SRCABL1ABL2EHMT2ROCK2
SCHEMBL6337390 0.80 KDM4E (0.46) EHMT2PDGFRBKITIRAK4
SCHEMBL2977174 0.79 SRC (0.54) SRCABL1BCREGFRERBB2
SCHEMBL4296487 0.79 SRC (0.54) SRCABL1ABL2BCRMAP2K1
SCHEMBL6338531 0.79 SRC (0.42) SRCABL1ABL2EHMT2BCR
SCHEMBL22589482 0.78 SRC (0.59) SRCABL1BCRWEE2WEE1

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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