SCHEMBL1425628

SCHEMBL1425628

CCOC(=O)N1Cc2nc(N)nc(-c3ccc(Cl)cc3Cl)c2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.46
HSP90AB1 P08238 13/20 0.46
DPP4 P27487 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL1425765 0.92 HSP90AA1 (0.42) HSP90AA1HSP90AB1DPP4MEN1KMT2A
SCHEMBL26435800 0.88 HSP90AA1 (0.46) HSP90AA1HSP90AB1CYP3A4
SCHEMBL1425517 0.85 HSP90AA1 (0.42) HSP90AA1HSP90AB1CYP3A4
SCHEMBL12811872 0.85 HSP90AB1 (0.43) HSP90AA1HSP90AB1CDC7DBF4CNR1
SCHEMBL1425382 0.83 HSP90AA1 (0.52) HSP90AA1HSP90AB1CYP3A4
SCHEMBL1425453 0.83 HSP90AB1 (0.43) HSP90AA1HSP90AB1MEN1KMT2ACNR1
SCHEMBL1425375 0.83 HSP90AA1 (0.41) HSP90AA1HSP90AB1CYP3A4
SCHEMBL1426111 0.82 HSP90AA1 (0.42) HSP90AA1HSP90AB1CYP3A4
SCHEMBL1425421 0.82 HSP90AA1 (0.57) HSP90AA1HSP90AB1CYP3A4
SCHEMBL14135171 0.81 HSP90AA1 (0.43) HSP90AA1HSP90AB1CYP3A4

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
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 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-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885DPP4 3302/4885

“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.