SCHEMBL1425638

SCHEMBL1425638

COCCN1Cc2nc(N)nc(-c3cc(OC)c(Br)cc3Cl)c2C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 15/20 0.38
▸ HSP90AA1 P07900 12/20 0.38
▸ DPP4 P27487 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ SUV39H2 Q9H5I1 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33

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
SCHEMBL1425365 0.90 HTR4 (0.35) HSP90AB1HSP90AA1DPP4CYP3A4SUV39H2
SCHEMBL1426051 0.85 SUV39H2 (0.35) HSP90AB1HSP90AA1DPP4SUV39H2
SCHEMBL14135050 0.84 HTT (0.37) HSP90AB1HSP90AA1DPP4CYP3A4
SCHEMBL1425921 0.84 DPP4 (0.41) HSP90AB1HSP90AA1DPP4CYP3A4
SCHEMBL13394094 0.84 CYP3A4 (0.45) DPP4CYP3A4
SCHEMBL12811523 0.83 HSP90AB1 (0.38) HSP90AB1HSP90AA1DPP4CYP3A4DPP8
SCHEMBL3338182 0.82 HSP90AB1 (0.38) HSP90AB1HSP90AA1DPP4CYP3A4DPP8
SCHEMBL1425812 0.80 PDE5A (0.39) DPP4CYP3A4DPP8
SCHEMBL12811669 0.80 HSP90AA1 (0.33) HSP90AB1HSP90AA1
SCHEMBL14135018 0.79 HSP90AA1 (0.36) HSP90AB1HSP90AA1DPP4CYP3A4DPP8

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 7 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
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
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 HSP90AB1 2/4885HSP90AA1 3/4885DPP4 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.

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