SCHEMBL16981732

SCHEMBL16981732

COc1ccc(CNc2nc3c(cnn3CC(C)C)c(=O)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 1.00

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
SCHEMBL16981729 0.89 PDE9A (1.00) PDE9A
SCHEMBL16981728 0.88 PDE9A (1.00) PDE9A
SCHEMBL16981726 0.88 PDE9A (1.00) PDE9A
SCHEMBL16981735 0.87 PDE9A (1.00) PDE9A
SCHEMBL16981655 0.86 PDE9A (1.00) PDE9A
SCHEMBL16981737 0.85 PDE9A (1.00) PDE9A
SCHEMBL16981736 0.85 PDE9A (1.00) PDE9A
SCHEMBL16981742 0.85 PDE9A (1.00) PDE9A
SCHEMBL16981733 0.82 PDE9A (1.00) PDE9A
SCHEMBL16981734 0.82 PDE9A (1.00) PDE9A

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
US-9617269-B2 N-substituted pyrazolo [3,4-D] pyrimidine ketone compound, and preparation process and use thereof SUN YAT-SEN UNIVERSITY (CN) 2017-04-11 — — US disclosed
US-9617269-B2 N-substituted pyrazolo [3,4-D] pyrimidine ketone compound, and preparation process and use thereof SUN YAT-SEN UNIVERSITY (CN) 2017-04-11 — — US disclosed
US-20150218168-A1 N-SUBSTITUTED PYRAZOLO [3,4-D] PYRIMIDINE KETONE COMPOUND, AND PREPARATION PROCESS AND USE THEREOF SUN YAT-SEN UNIVERSITY (CN) 2015-08-06 — — US disclosed
US-20150218168-A1 N-SUBSTITUTED PYRAZOLO [3,4-D] PYRIMIDINE KETONE COMPOUND, AND PREPARATION PROCESS AND USE THEREOF SUN YAT-SEN UNIVERSITY (CN) 2015-08-06 — — 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-20150218168-A1 N-SUBSTITUTED PYRAZOLO [3,4-D] PYRIMIDINE KETONE COMPOUND, AND PREPARATION PROCESS AND USE THEREOF PDE3B, PDE3A, PDE2A PDE9A 4/4885

“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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