SCHEMBL12948919

SCHEMBL12948919

O=C(O)CC1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 1.00
ITGAV P06756 19/20 1.00
ITGA2B P08514 8/20 1.00
ITGB5 P18084 6/20 0.64
ITGB1 P05556 4/20 0.64
ITGB6 P18564 2/20 0.42
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL30856550 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL983500 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL979390 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL243383 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL30856556 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL12922973 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2043371 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6419346 0.90 ITGB3 (0.82) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6423290 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL12010935 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257538-B1 Process for the preparation of benzodiazepine derivatives GLAXOSMITHKLINE LLC (US) 2016-04-27 EP disclosed
US-8076475-B2 Process GLAXOSMITHKLINE LLC (US) 2011-12-13 US disclosed
US-8076475-B2 Process GLAXOSMITHKLINE LLC (US) 2011-12-13 US disclosed
US-20110015390-A1 PROCESS GLAXOSMITHKLINE LLC 2011-01-20 US disclosed
US-20110015390-A1 PROCESS GLAXOSMITHKLINE LLC 2011-01-20 US disclosed
US-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 US disclosed
US-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 US disclosed
US-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 US disclosed
US-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 US disclosed
WO-2009111679-A2 PROCESS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US disclosed
US-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US 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 (2 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-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives PHOSPHO1, SGMS2, PTEN ITGB3 1890/4885ITGAV 2433/4885ITGA2B 1582/4885
US-20110015390-A1 PROCESS PTAFR, HCAR2, GPR142 ITGB3 173/4885ITGAV 200/4885ITGA2B 182/4885

“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.