SCHEMBL3241010

SCHEMBL3241010

Nc1nc(I)c2c(n1)CN(C(=O)O)C2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL1424921 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL1425364 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL1426080 0.78 ADORA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL1426289 0.76 HSP90AA1 (0.50) HSP90AA1HSP90AB1
SCHEMBL1426292 0.75 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL1426364 0.75 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL28725558 0.74 P2RX7 (0.56) P2RX7HSP90AA1HSP90AB1
SCHEMBL13494642 0.73 HSP90AA1 (0.47) HSP90AA1HSP90AB1
SCHEMBL3230215 0.71 P2RX7 (0.42) P2RX7HSP90AB1
SCHEMBL20608495 0.70 CHRM4 (0.34) P2RX7

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
US-8080556-B2 2-amino pyrimidine compounds as potent HSP-90 inhibitors PFIZER INC. (US) 2011-12-20 US disclosed
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC 2010-02-18 US disclosed
WO-2010018481-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC. (US) 2010-02-18 WO disclosed
EP-2118111-A1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER Pfizer Inc. (US) 2009-11-18 EP 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-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 P2RX7 1476/4885HSP90AA1 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.