SCHEMBL3581095

SCHEMBL3581095

CCOc1ncc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1c(C(N)=O)nn(CCOC)c1CC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.68
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
MEN1 O00255 1/20 0.39
CCNE2 O96020 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
GSK3B P49841 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL2404751 0.94 PDE5A (0.75) PDE5AKMT2A
SCHEMBL3584186 0.94 PDE5A (0.63) PDE5AKMT2APOLBABL1RIN1
SCHEMBL3586124 0.89 PDE5A (0.74) PDE5AKMT2A
SCHEMBL3585582 0.88 PDE5A (0.69) PDE5AKMT2A
SCHEMBL6447569 0.87 PDE5A (0.78) PDE5AKMT2AKDM4ERXFP1
SCHEMBL3579707 0.86 PDE5A (0.74) PDE5AKMT2A
SCHEMBL3575681 0.85 PDE5A (0.73) PDE5AKMT2A
SCHEMBL3578340 0.85 PDE5A (0.69) PDE5AKMT2A
SCHEMBL6446169 0.85 PDE5A (0.67) PDE5AKMT2APOLBABL1RIN1
SCHEMBL3586836 0.84 PDE5A (0.72) PDE5AKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PFIZER INC 2006-12-28 US disclosed
EP-1220856-B1 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES PFIZER LTD (GB) 2004-12-08 EP disclosed
US-20040152712-A1 Pharmaceutically active compounds PFIZER INC. 2004-08-05 US disclosed
US-6677335-B1 PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE DERIVATIVES; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; SEXUAL AND UROGENITAL DISORDERS PFIZER INC 2004-01-13 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 (3 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-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B PDE5A 1/4885KMT2A 4553/4885POLB 1629/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B PDE5A 1/4885KMT2A 4553/4885POLB 1629/4885
US-20040152712-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A PDE5A 1/4885KMT2A 4526/4885POLB 931/4885

“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.