SCHEMBL1985990

SCHEMBL1985990

COc1cccc(-c2ccccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 1.00
HSP90AB1 P08238 11/20 1.00
TRAP1 Q12931 1/20 0.81

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
SCHEMBL1985993 1.00 HSP90AA1 (1.00) HSP90AA1HSP90AB1TRAP1
SCHEMBL1988210 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1TRAP1
SCHEMBL1986232 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1TRAP1
SCHEMBL1351184 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1TRAP1
SCHEMBL1987786 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1TRAP1
SCHEMBL29352985 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1TRAP1
SCHEMBL1987780 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1TRAP1
SCHEMBL1351190 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1TRAP1
SCHEMBL12465624 0.90 HSP90AA1 (1.00) HSP90AA1HSP90AB1TRAP1
SCHEMBL1986909 0.89 HSP90AA1 (0.88) HSP90AA1HSP90AB1TRAP1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS NOVARTIS AG (CH) 2017-02-23 US claimed
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2015-07-30 US claimed
US-20140328834-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2014-11-06 US claimed
US-20140242088-A1 Hsp90 inhibitor combinations NOVARTIS AG (CH) 2014-08-28 US claimed
EP-2572709-A1 HSP90 inhibitors for therapeutic treatment Novartis AG (CH) 2013-03-27 EP claimed
US-20130045983-A1 HSP90 INHIBITORS FOR THERAPEUTIC TREATMENT NOVARTIS AG (CH) 2013-02-21 US claimed
US-20120219550-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2012-08-30 US claimed
EP-2370079-A2 HSP90 INHIBITORS FOR THERAPEUTIC TREATMENT Novartis AG (CH) 2011-10-05 EP claimed
EP-2370076-A2 PHARMACEUTICAL COMBINATION COMPRISING A HSP 90 INHIBITOR AND A MTOR INHIBITOR Novartis AG (CH) 2011-10-05 EP claimed
US-20110236379-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2011-09-29 US claimed
US-20110230444-A1 PHARMACEUTICAL COMBINATION COMPRISING A HSP 90 INHIBITOR AND A MTOR INHIBITOR NOVARTIS AG (CH) 2011-09-22 US claimed
US-20110230499-A1 HSP90 INHIBITORS FOR THERAPEUTIC TREATMENT NOVARTIS AG (CH) 2011-09-22 US claimed
EP-1928875-B1 2-amino-7,8-dihydro-6H-pyrido(4,3-d)pyrimidin-5-ones, process for their preparation and pharmaceutical compositions containing the same NOVARTIS AG (CH) 2011-06-29 EP claimed
WO-2010060937-A2 HSP90 INHIBITOR COMBINATIONS NOVARTIS AG (CH) 2010-06-03 WO claimed
WO-2010060940-A2 HSP90 INHIBITORS FOR THERAPEUTIC TREATMENT NOVARTIS AG (CH) 2010-06-03 WO claimed
US-7671059-B2 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones NOVARTIS AG (CH) 2010-03-02 US claimed
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS NOVARTIS AG (CH) 2017-02-23 US disclosed
EP-2370076-B1 Pharmaceutical combination comprising a Hsp 90 inhibitor and a mTOR inhibitor NOVARTIS AG (CH) 2017-01-04 EP disclosed
WO-2007041362-A1 2-AMINO-7,8-DIHYDRO-6H-PYRIDO[4,3-D] PYRIMIDIN-5-ONES NOVARTIS AG (CH) 2007-04-12 WO disclosed
WO-2007041362-A1 2-AMINO-7,8-DIHYDRO-6H-PYRIDO[4,3-D] PYRIMIDIN-5-ONES NOVARTIS AG (CH) 2007-04-12 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 (9 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-20110230499-A1 HSP90 INHIBITORS FOR THERAPEUTIC TREATMENT HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885TRAP1 20/4885
US-20110230444-A1 PHARMACEUTICAL COMBINATION COMPRISING A HSP 90 INHIBITOR AND A MTOR INHIBITOR HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885TRAP1 19/4885
US-20140328834-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 5/4885HSP90AB1 2/4885TRAP1 40/4885
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 5/4885HSP90AB1 2/4885TRAP1 40/4885
US-20130045983-A1 HSP90 INHIBITORS FOR THERAPEUTIC TREATMENT HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885TRAP1 22/4885
US-20110236379-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 5/4885HSP90AB1 2/4885TRAP1 40/4885
US-20140242088-A1 Hsp90 inhibitor combinations HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885TRAP1 14/4885
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885TRAP1 12/4885
US-20120219550-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 5/4885HSP90AB1 2/4885TRAP1 40/4885

“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.