SCHEMBL3583879

SCHEMBL3583879

CCOc1ncc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1c(CC)n[nH]c1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.60
KMT2A Q03164 4/20 0.52
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CCNE2 O96020 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
GSK3B P49841 2/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2403854 0.93 PDE5A (0.68) PDE5AKMT2AKDM4ERXFP1ALDH1A1
Hydrochloric Acid SCHEMBL6446244 0.93 PDE5A (0.67) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL6620410 0.82 PDE5A (0.60) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL6448057 0.80 PDE5A (0.67) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL6447304 0.80 PDE5A (0.56) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL6363377 0.79 PDE5A (0.42) PDE5AKMT2ARXFP1TSHRALDH1A1
SCHEMBL6446169 0.79 PDE5A (0.67) PDE5AKMT2APOLBMEN1KDM4E
SCHEMBL3581095 0.79 PDE5A (0.68) PDE5AKMT2APOLBMEN1KDM4E
SCHEMBL3581108 0.77 PDE5A (0.53) PDE5AKMT2APOLBMEN1KDM4E
SCHEMBL3586129 0.77 PDE5A (0.63) 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-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
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.