SCHEMBL16981665

SCHEMBL16981665

O=c1[nH]c(Cl)nc2c1cnn2C1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.63
▸ PDE1C Q14123 1/20 0.59
▸ PDE5A O76074 2/20 0.58
▸ PDE1B Q01064 2/20 0.58
▸ PDE2A O00408 1/20 0.58
▸ PDE8A O60658 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ PDE7A Q13946 1/20 0.58
▸ PDE10A Q9Y233 1/20 0.58

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
SCHEMBL16981652 0.99 PDE9A (0.65) PDE9APDE1CPDE5APDE1BPDE2A
SCHEMBL22042950 0.94 PDE9A (0.55) PDE9APDE1CPDE5APDE1BPDE2A
SCHEMBL22042861 0.88 PDE9A (0.50) PDE9APDE1CPDE5APDE1BPDE2A
SCHEMBL17603784 0.88 PDE9A (0.61) PDE9APDE1C
SCHEMBL22042919 0.85 PDE9A (0.62) PDE9APDE5APDE1BPDE2APDE8A
SCHEMBL23562705 0.83 PDE9A (0.52) PDE9APDE1CPDE5APDE1BPDE2A
SCHEMBL17604293 0.82 PDE9A (0.73) PDE9APDE1C
SCHEMBL6897438 0.81 PDE9A (0.60) PDE9APDE1C
SCHEMBL14997318 0.80 PDE9A (0.76) PDE9APDE1C
SCHEMBL3099231 0.79 PDE9A (0.74) 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 7 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-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 — — US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 — — US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 — — 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 (2 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-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE PDE3A, PDE2A, PDE5A PDE9A 11/4885PDE1C 18/4885PDE5A 3/4885
US-20150218168-A1 N-SUBSTITUTED PYRAZOLO [3,4-D] PYRIMIDINE KETONE COMPOUND, AND PREPARATION PROCESS AND USE THEREOF PDE3B, PDE3A, PDE2A PDE9A 4/4885PDE1C 187/4885PDE5A 6/4885

“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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