SCHEMBL1425812

SCHEMBL1425812

COc1cc(-c2nc(N)nc3c2CN(Cc2ccc(C#N)cc2)C3)c(Cl)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.39
▸ CYP3A4 P08684 2/20 0.35
▸ DPP4 P27487 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ PDE6C P51160 2/20 0.34
▸ NSD2 O96028 2/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ PDE6D O43924 1/20 0.33
▸ PDE6A P16499 1/20 0.33
▸ PDE6G P18545 1/20 0.33
▸ PDE6B P35913 1/20 0.33
▸ PDE6H Q13956 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ ABCG2 Q9UNQ0 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
SCHEMBL14135050 0.90 HTT (0.37) CYP3A4DPP4CYP2C19HTTNSD2
SCHEMBL1425921 0.90 DPP4 (0.41) CYP3A4DPP4CYP2C19HTT
SCHEMBL13394094 0.88 CYP3A4 (0.45) CYP3A4DPP4CYP2C19NSD2
SCHEMBL1425846 0.86 NPBWR1 (0.35) CYP3A4DPP4CYP2C19
SCHEMBL1426051 0.85 SUV39H2 (0.35) DPP4
Trifluoroacetic Acid SCHEMBL1425132 0.81 CYP3A4 (0.40) CYP3A4DPP4CYP2C19
SCHEMBL1425638 0.80 HSP90AB1 (0.38) CYP3A4DPP4DPP8
SCHEMBL1425365 0.80 HTR4 (0.35) CYP3A4DPP4
SCHEMBL1426044 0.80 HSP90AA1 (0.42) PDE5A
SCHEMBL13394203 0.78 DPP4 (0.33) CYP3A4DPP4CYP2C19DPP8DPP9

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 5 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
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 PDE5A 3732/4885CYP3A4 2698/4885DPP4 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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