SCHEMBL2404543

SCHEMBL2404543

CCCOc1ncc(I)cc1C(=O)Nc1c(C(N)=O)n[nH]c1CC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.38
TERT O14746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.33
CNR2 P34972 1/20 0.32
KIT P10721 1/20 0.31
MAPK1 P28482 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
SCHEMBL6783770 0.95 TERT (0.38) PDE5ATERTRXFP1CNR2MAPK1
SCHEMBL12317587 0.82 PDE5A (0.36) PDE5ATERTRXFP1CNR2MAPK1
SCHEMBL6779389 0.79 PDE5A (0.43) PDE5ATERTRXFP1KIT
SCHEMBL6196402 0.76 HDAC8 (0.51) PDE5ATERT
SCHEMBL6363377 0.74 PDE5A (0.42) PDE5ARXFP1
SCHEMBL6895181 0.73 TERT (0.60) PDE5ATERT
SCHEMBL2402678 0.73 PDE5A (0.53) PDE5ACNR2
SCHEMBL6746112 0.72 PDE5A (0.42) PDE5ATERTCNR2
SCHEMBL6356946 0.72 PDE5A (0.52) PDE5ACNR2
SCHEMBL6356420 0.72 PDE5A (0.38) PDE5ARXFP1MAPK1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212972-A1 Compositions and Methods for Treating Female Sexual Dysfunction PFIZER INC 2011-09-01 US disclosed
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PFIZER INC. 2009-10-22 US disclosed
EP-1440709-B1 Combinations comprising cGMP PDE5 inhibitors. PFIZER LTD (GB) 2007-12-05 EP disclosed
EP-1149579-B1 Use of an estrogen agonist/antagonist for treating female sexual dysfunction PFIZER PROD INC (US) 2006-12-06 EP disclosed
US-20050143367-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof PFIZER INC 2005-06-30 US disclosed
US-6809200-B2 REACTING 5-ACETYL-N-(3-(AMINOCARBONYL)-5-ETHYL-1-(1-ETHYL-3-AZETIDINYL)-1H-PYRAZOL4 -YL)-2-ETHOXYNICOTINAMIDE, IN PRESENCE OF ALCOHOL OR ALKOXY COMPOUND AND A HYDROXIDE TRAPPING AGENT OR BASE PFIZER INC. 2004-10-26 US disclosed
EP-1440709-A2 Combinations comprising cGMP PDE5 inhibitors. Pfizer Limited (GB) 2004-07-28 EP disclosed
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
US-20040122010-A1 Treatment of neuropathy PFIZER INC 2004-06-24 US disclosed
US-6699991-B2 A ?ONE-POT? PROCESS IS DESCRIBED HEREIN FOR THE PRODUCTION OF PYRAZOLE COMPOUNDS OF GENERAL FORMULA (II) COMPRISING THE STEPS OF REACTING A COMPOUND OF GENERAL FORMULA (III) WITH AN ACYLATING AGENT IN THE PRESENCE OF A BASE AND AN OPTIONAL PFIZER INC. 2004-03-02 US disclosed
US-20020111498-A1 Novel process for the preparation of pyrazoles JAMES HARRIS LAURENCE (GB) 2002-08-15 US disclosed
US-6407259-B1 REACTING DIETHER COMPOUND WITH ACYLATING AGENT COMPRISING ACID ANHYDRIDE OR ACID HALIDE DERIVATIVE TO FORM PYRAZOLE DERIVATIVE PFIZER INC. 2002-06-18 US disclosed
US-20020038024-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof PFIZER INC. 2002-03-28 US disclosed
US-20020022732-A1 Novel process for the preparation of pyrazoles PFIZER INC. 2002-02-21 US disclosed
EP-1176147-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2002-01-30 EP disclosed
EP-1176142-A1 Process for the preparation of pyrazoles PFIZER INC. (US) 2002-01-30 EP disclosed
US-20010044434-A1 Compositions and methods of treatment for conditions responsive to testosterone elevation LEE ANDREW G (US) 2001-11-22 US disclosed
EP-1149579-A2 Use of an estrogen agonist/antagonist for treating female sexual dysfunction Pfizer Products Inc. (US) 2001-10-31 EP disclosed
EP-1129706-A2 Use of cGMP PDE5 inhibitors for the treatment of neuropathy Pfizer Limited (GB) 2001-09-05 EP disclosed
EP-1125582-A2 Use of estrogen agonists / antagonists for the treatment of sexual dysfunction Pfizer Products Inc. (US) 2001-08-22 EP 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 (8 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-20020038024-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof DPYD, HPRT1, SAMHD1 PDE5A 1809/4885TERT 385/4885RXFP1 2604/4885
US-20050143367-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof NOX4, VKORC1, DPYD PDE5A 1588/4885TERT 685/4885RXFP1 2585/4885
US-20040122010-A1 Treatment of neuropathy PDE5A, PDE3A, PDE2A PDE5A 1/4885TERT 3344/4885RXFP1 2991/4885
US-20020022732-A1 Novel process for the preparation of pyrazoles NAT1, CYP2F1, CYP51A1 PDE5A 1067/4885TERT 3231/4885RXFP1 4182/4885
US-20010044434-A1 Compositions and methods of treatment for conditions responsive to testosterone elevation PDE3B, PDE3A, SHBG PDE5A 4/4885TERT 1012/4885RXFP1 388/4885
US-20020111498-A1 Novel process for the preparation of pyrazoles NAT1, CYP2F1, CYP51A1 PDE5A 1067/4885TERT 3231/4885RXFP1 4182/4885
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A PDE5A 4/4885TERT 3324/4885RXFP1 441/4885
US-20110212972-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A PDE5A 4/4885TERT 3324/4885RXFP1 441/4885

“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.