SCHEMBL3338182

SCHEMBL3338182

CNC(=O)CN1Cc2nc(N)nc(-c3cc(OC)c(Br)cc3Cl)c2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 15/20 0.38
▸ HSP90AA1 P07900 14/20 0.38
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ GFER P55789 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
SCHEMBL12811523 0.91 HSP90AB1 (0.38) HSP90AB1HSP90AA1DPP4DPP8DPP9
SCHEMBL1425365 0.84 HTR4 (0.35) HSP90AB1HSP90AA1DPP4CYP3A4
SCHEMBL1425638 0.82 HSP90AB1 (0.38) HSP90AB1HSP90AA1DPP4DPP8CYP3A4
SCHEMBL1426051 0.81 SUV39H2 (0.35) HSP90AB1HSP90AA1DPP4
SCHEMBL4449692 0.81 HSP90AA1 (0.42) HSP90AB1HSP90AA1CYP3A4
SCHEMBL13394094 0.80 CYP3A4 (0.45) DPP4CYP3A4
SCHEMBL1425921 0.80 DPP4 (0.41) HSP90AB1HSP90AA1DPP4CYP3A4
SCHEMBL14135050 0.80 HTT (0.37) HSP90AB1HSP90AA1DPP4CYP3A4
SCHEMBL12811920 0.80 HSP90AA1 (0.47) HSP90AB1HSP90AA1CYP3A4
SCHEMBL1425538 0.80 HSP90AA1 (0.55) HSP90AB1HSP90AA1CYP3A4

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 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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