SCHEMBL1425426

SCHEMBL1425426

COc1cc(-c2nc(N)nc3c2CN(C(=O)Nc2ccc(Cl)cc2)C3)c(Cl)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 17/20 0.46
▸ HSP90AB1 P08238 16/20 0.46
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 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
SCHEMBL1425709 0.93 HSP90AA1 (0.43) HSP90AA1HSP90AB1CYP3A4HTR2AHTR2C
SCHEMBL1425550 0.93 HSP90AA1 (0.45) HSP90AA1HSP90AB1CYP3A4
SCHEMBL1426044 0.91 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL1425687 0.91 GAA (0.44) HSP90AA1HSP90AB1CYP3A4HTR2AHTR2C
SCHEMBL14135118 0.90 HSP90AA1 (0.45) HSP90AA1HSP90AB1PDE4APDE4BPDE4C
SCHEMBL13394171 0.89 HSP90AA1 (0.45) HSP90AA1HSP90AB1CYP3A4
SCHEMBL1425498 0.89 HSP90AA1 (0.45) HSP90AA1HSP90AB1CYP3A4
SCHEMBL13394155 0.88 HTR2A (0.42) HSP90AA1HSP90AB1CYP3A4HTR2AHTR2C
SCHEMBL1425798 0.87 POLB (0.46) HSP90AA1HSP90AB1CYP3A4
SCHEMBL1425694 0.86 HSP90AA1 (0.41) 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 2/4885PDE4A 3622/4885

“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.

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