SCHEMBL1986803

SCHEMBL1986803

Cc1nc(N)nc2c1C(=O)NC(c1ccc(F)cc1OC(C)C)C2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.64
HSP90AB1 P08238 12/20 0.64
TRAP1 Q12931 1/20 0.64

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
SCHEMBL1985854 1.00 HSP90AA1 (0.64) HSP90AA1HSP90AB1TRAP1
SCHEMBL1989921 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1TRAP1
SCHEMBL1987831 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1TRAP1
SCHEMBL12603352 0.84 HSP90AA1 (0.70) HSP90AA1HSP90AB1TRAP1
SCHEMBL1526563 0.83 HSP90AA1 (0.69) HSP90AA1HSP90AB1TRAP1
SCHEMBL1526562 0.83 HSP90AA1 (0.69) HSP90AA1HSP90AB1TRAP1
SCHEMBL5457745 0.82 HSP90AA1 (0.52) HSP90AA1HSP90AB1TRAP1
SCHEMBL1984279 0.80 HSP90AA1 (0.77) HSP90AA1HSP90AB1TRAP1
SCHEMBL13545465 0.80 HSP90AA1 (0.77) HSP90AA1HSP90AB1TRAP1
SCHEMBL1985813 0.80 HSP90AA1 (0.77) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7671059-B2 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones NOVARTIS AG (CH) 2010-03-02 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 disclosed
US-7671059-B2 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones NOVARTIS AG (CH) 2010-03-02 US disclosed
US-20100004237-A1 2-Amino-7,8-dihydro-6H-pyrido[4,3-D]pyrimidin-5-ones MACHAKEWSKI TIMOTHY D 2010-01-07 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 (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-20100004237-A1 2-Amino-7,8-dihydro-6H-pyrido[4,3-D]pyrimidin-5-ones TYMP, TPMT, TYMS HSP90AA1 4308/4885HSP90AB1 4303/4885TRAP1 2243/4885

“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.