SCHEMBL16981679

SCHEMBL16981679

CC(Nc1nc2c(cnn2C(C)C)c(=O)[nH]1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 18/20 1.00
▸ PDE5A O76074 2/20 0.69
▸ PDE1B Q01064 2/20 0.69
▸ PDE2A O00408 1/20 0.69
▸ PDE8A O60658 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ PDE7A Q13946 1/20 0.69
▸ PDE10A Q9Y233 1/20 0.69
▸ PDE1C Q14123 2/20 0.64

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
SCHEMBL16981664 0.88 PDE9A (1.00) PDE9A
SCHEMBL17611036 0.84 PDE9A (0.73) PDE9APDE5APDE1BPDE2APDE8A
SCHEMBL16981741 0.84 PDE9A (1.00) PDE9APDE5APDE1BPDE2APDE8A
SCHEMBL31166334 0.82 PDE9A (1.00) PDE9APDE5APDE1BPDE2APDE8A
SCHEMBL16981703 0.82 PDE9A (1.00) PDE9APDE5APDE1BPDE2APDE8A
SCHEMBL16981654 0.82 PDE9A (1.00) PDE9A
SCHEMBL16981721 0.81 PDE9A (1.00) PDE9APDE5APDE1BPDE2APDE8A
SCHEMBL16981677 0.76 PDE9A (1.00) PDE9A
SCHEMBL16981636 0.75 PDE9A (0.77) PDE9APDE5APDE1BPDE2APDE8A
SCHEMBL16981646 0.75 PDE9A (0.58) PDE9APDE1C

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 4/4885PDE5A 6/4885PDE1B 256/4885

“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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