SCHEMBL1029639

SCHEMBL1029639

O=C(N[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)c1c(Cl)cncc1Cl

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.89
ITGAV P06756 3/20 0.89
ITGA4 P13612 15/20 0.66
ITGB7 P26010 10/20 0.66
ITGA5 P08648 3/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2 P17301 1/20 0.46

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
SCHEMBL3316590 0.96 ITGB1 (0.89) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3316443 0.96 ITGB1 (0.89) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL8352229 0.94 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3313373 0.94 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3313356 0.94 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3316398 0.94 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL1028109 0.90 ITGB1 (0.72) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3318272 0.89 ITGB1 (0.85) ITGB1ITGAVITGA4ITGB7ITGA2
SCHEMBL3316690 0.89 ITGB1 (0.85) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3314255 0.88 ITGB1 (0.87) ITGB1ITGAVITGA4ITGB7ITGA5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902045-B1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB PHARMA SA (BE) 2011-01-19 EP claimed
US-7732614-B2 2,6-quinolinyl derivatives, processes for preparing them and their uses UCB S.A. (BE) 2010-06-08 US claimed
EP-1902045-A1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB Pharma, S.A. (BE) 2008-03-26 EP claimed
US-20070004775-A1 2,6-Quinolinyl derivatives, processes for preparing them and their uses UCB PHARMA S.A. (BE) 2007-01-04 US claimed
WO-2006131200-A1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB PHARMA, S.A. (BE) 2006-12-14 WO claimed
EP-1902045-B1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB PHARMA SA (BE) 2011-01-19 EP disclosed
US-7732614-B2 2,6-quinolinyl derivatives, processes for preparing them and their uses UCB S.A. (BE) 2010-06-08 US disclosed
US-7732614-B2 2,6-quinolinyl derivatives, processes for preparing them and their uses UCB S.A. (BE) 2010-06-08 US disclosed
US-7732614-B2 2,6-quinolinyl derivatives, processes for preparing them and their uses UCB S.A. (BE) 2010-06-08 US disclosed
EP-1902045-A1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB Pharma, S.A. (BE) 2008-03-26 EP disclosed
US-20070004775-A1 2,6-Quinolinyl derivatives, processes for preparing them and their uses UCB PHARMA S.A. (BE) 2007-01-04 US disclosed
US-20070004775-A1 2,6-Quinolinyl derivatives, processes for preparing them and their uses UCB PHARMA S.A. (BE) 2007-01-04 US disclosed
US-20070004775-A1 2,6-Quinolinyl derivatives, processes for preparing them and their uses UCB PHARMA S.A. (BE) 2007-01-04 US disclosed
WO-2006131200-A1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB PHARMA, S.A. (BE) 2006-12-14 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-20070004775-A1 2,6-Quinolinyl derivatives, processes for preparing them and their uses CYP2D6, UGT1A6, CYP3A4 ITGB1 4685/4885ITGAV 3968/4885ITGA4 3846/4885

“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.