SCHEMBL1426044

SCHEMBL1426044

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 12/20 0.42
▸ HSP90AB1 P08238 11/20 0.42
▸ PDGFRB P09619 2/20 0.41
▸ KIT P10721 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ NAMPT P43490 2/20 0.40
▸ PDE5A O76074 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MCL1 Q07820 1/20 0.38

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
SCHEMBL1425466 0.91 HTR2A (0.44) HSP90AA1HSP90AB1NAMPTALDH1A1MAPT
SCHEMBL1425426 0.91 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL1425709 0.89 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL1425550 0.89 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL1425694 0.89 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL1425498 0.85 HSP90AA1 (0.45) HSP90AA1HSP90AB1NAMPT
SCHEMBL13394171 0.85 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL1425687 0.85 GAA (0.44) HSP90AA1HSP90AB1PDGFRBMEN1KMT2A
SCHEMBL1425616 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL13394155 0.84 HTR2A (0.42) 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
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 2/4885PDGFRB 505/4885

“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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