SCHEMBL3579254

SCHEMBL3579254

CCOc1ncc([N+](=O)[O-])cc1C(=O)Nc1c(C(N)=O)nn(CCOC)c1CC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.46
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
RORC P51449 1/20 0.32
AKR1B1 P15121 1/20 0.32
LMNA P02545 2/20 0.31
TERT O14746 1/20 0.31
HTT P42858 1/20 0.31
MAPK8 P45983 1/20 0.31

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
SCHEMBL6450443 0.89 PDE5A (0.49) PDE5AMAPTPOLBKMT2AALDH1A1
SCHEMBL3578605 0.87 PDE5A (0.49) PDE5APOLBKMT2AALDH1A1KDM4E
SCHEMBL6776964 0.83 PDE5A (0.44) PDE5AMAPTPOLBKMT2AALDH1A1
SCHEMBL6442398 0.82 KMT2A (0.40) PDE5AMAPTPOLBKMT2AALDH1A1
SCHEMBL6746112 0.79 PDE5A (0.42) PDE5ATERT
SCHEMBL3581095 0.79 PDE5A (0.68) PDE5APOLBKMT2AKDM4EMEN1
SCHEMBL6447286 0.78 MEN1 (0.39) PDE5APOLBKMT2AALDH1A1NPC1
SCHEMBL2404751 0.78 PDE5A (0.75) PDE5AKMT2A
SCHEMBL6805465 0.75 PDE5A (0.43) PDE5APOLBKMT2AMAPK1KDM4E
SCHEMBL6356953 0.75 TERT (0.57) PDE5AMAPTPOLBKMT2AALDH1A1

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 11 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-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
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
EP-1220856-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2002-07-10 EP disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 WO 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 1/4885MAPT 3997/4885POLB 1629/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B PDE5A 1/4885MAPT 3997/4885POLB 1629/4885
US-20040152712-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A PDE5A 1/4885MAPT 3952/4885POLB 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.