SCHEMBL1425708

SCHEMBL1425708

CCOC(=O)N1Cc2nc(N)nc(OCc3ncc(C)c(OC)c3C)c2C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.42
HSP90AA1 P07900 19/20 0.42
HSP90AB1 P08238 14/20 0.42
TRAP1 Q12931 2/20 0.40
HSP90B1 P14625 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
SCHEMBL13394100 0.87 HSP90AA1 (0.37) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL1425497 0.75 ALDH1A1 (0.40)
SCHEMBL3304147 0.75 ALDH1A1 (0.46) HSP90AA1HSP90AB1
SCHEMBL13394107 0.75 MAPT (0.36)
SCHEMBL1425564 0.74 KDM5A (0.39) HSP90AA1HSP90AB1
SCHEMBL13495928 0.72 KDM4E (0.40)
SCHEMBL1425516 0.71 ALDH1A1 (0.41) HSP90AA1HSP90AB1
SCHEMBL13394106 0.70 LMNA (0.45) HSP90AA1HSP90AB1
SCHEMBL1425480 0.70 KDM4E (0.38) HSP90AA1HSP90AB1
SCHEMBL1425313 0.70 MAPT (0.38) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118111-B1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER (US) 2011-03-23 EP disclosed
EP-2118111-B1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER (US) 2011-03-23 EP disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
WO-2008096218-A1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER INC. (US) 2008-08-14 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-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS HSP90AB2P, HSP90AB1, HSP90AA1 AGXT 1632/4885HSP90AA1 3/4885HSP90AB1 2/4885

“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.