SCHEMBL3389455

SCHEMBL3389455

COc1cc2ncc(NCC(C)(C)CO)nc2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 15/20 0.55
PDGFRA P16234 15/20 0.55
EGFR P00533 1/20 0.48
INSR P06213 1/20 0.48
LCK P06239 1/20 0.48
NUDT1 P36639 3/20 0.44
PGK1 P00558 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3885224 0.80 PDGFRB (0.56) PDGFRBPDGFRAEGFRALDH1A1GAA
SCHEMBL3395817 0.78 PDGFRB (0.58) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL8118643 0.76 PDGFRB (0.62) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL24614203 0.71 PDGFRB (0.60) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL3908370 0.71 PDGFRB (1.00) PDGFRBPDGFRAEGFRLCKPGK1
SCHEMBL24894766 0.70 PDGFRB (0.59) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL29338738 0.69 PDGFRB (0.71) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL3908347 0.67 PDGFRB (0.75) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL12775532 0.66 ALDH1A1 (0.50) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL3909786 0.66 PDGFRB (1.00) PDGFRBPDGFRAEGFRLCKNUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001946-B1 QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56lck TYROSINE KINASES AVENTIS PHARMA INC (US) 2010-12-29 EP disclosed
EP-1687642-B1 Screening methods for combinations of biological compounds CENTELION (FR) 2009-01-14 EP disclosed
US-20070197538-A1 Anti-vascular and anti-proliferation methods, therapies, and combinations employing specific tyrosine kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-08-23 US disclosed
EP-1687642-A2 ANTI-VASCULAR AND ANTI-PROLIFERATION METHODS, THERAPIES, AND COMBINATIONS EMPLOYING SPECIFIC TYROSINE KINASE INHIBITORS CENTELION (FR) 2006-08-09 EP disclosed
WO-2005038465-A2 ANTI-VASCULAR AND ANTI-PROLIFERATION METHODS, THERAPIES, AND COMBINATIONS EMPLOYING SPECIFIC TYROSINE KINASE INHIBITORS CENTELION (FR) 2005-04-28 WO disclosed
US-6482834-B2 ANTIPROLIFERATION AGENTS; ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2002-11-19 US disclosed
US-20010023250-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-09-20 US disclosed
US-6245760-B1 ANTICANCER AGENTS; ANTIINFLAMMATORYA GENTS; SKIN DISORDERS AVENTIS PHARMACEUTICALS PRODUCTS, INC 2001-06-12 US disclosed
EP-1001946-A4 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56?1ck TYROSINE KINASES RHONE POULENC RORER PHARMA (US) 2000-07-26 EP disclosed
EP-1001946-A1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56?1ck TYROSINE KINASES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 2000-05-24 EP disclosed
WO-1998054157-A1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p561ck TYROSINE KINASES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-12-03 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 (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-20070197538-A1 Anti-vascular and anti-proliferation methods, therapies, and combinations employing specific tyrosine kinase inhibitors MCL1, ABL1, TIE1 PDGFRB 13/4885PDGFRA 10/4885EGFR 116/4885
US-20010023250-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases LCK, LTK, PTK6 PDGFRB 27/4885PDGFRA 32/4885EGFR 1365/4885

“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.