SCHEMBL2405699

SCHEMBL2405699

CCCOc1ncc(I)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
KMT2A Q03164 3/20 0.39
MAPK8 P45983 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37

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
SCHEMBL6624693 0.92 KDM4E (0.45) TP53KMT2AMAPK8ALDH1A1KDM4E
SCHEMBL6361867 0.87 KMT2A (0.49) TP53KMT2AALDH1A1KDM4ENPC1
SCHEMBL11452714 0.81 CYP1A2 (0.45) KMT2AMAPK8PDE10AALDH1A1KDM4E
SCHEMBL25704057 0.80 POLB (0.42) KMT2AALDH1A1KDM4ESMN1; SMN2GABRP
SCHEMBL6776691 0.80 TP53 (0.45) TP53KMT2AALDH1A1DHODHTSHR
SCHEMBL6625524 0.79 MEN1 (0.44) KMT2AMAPK8ALDH1A1KDM4EGABRP
SCHEMBL1505647 0.78 TSHR (0.54) TP53ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL7247518 0.77 TP53 (0.44) TP53KMT2AALDH1A1NPC1RAB9A
SCHEMBL28160410 0.75 KDM4E (0.49) TP53KMT2AMAPK8ALDH1A1KDM4E
SCHEMBL11453574 0.74 MEN1 (0.47) KMT2AALDH1A1KDM4ENPC1RAB9A

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 31 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-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
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS 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 (7 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 TP53 2922/4885KMT2A 2316/4885MAPK8 2547/4885
US-20050143367-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof NOX4, VKORC1, DPYD TP53 2312/4885KMT2A 3014/4885MAPK8 2460/4885
US-20040122010-A1 Treatment of neuropathy PDE5A, PDE3A, PDE2A TP53 4478/4885KMT2A 4203/4885MAPK8 1430/4885
US-20020022732-A1 Novel process for the preparation of pyrazoles NAT1, CYP2F1, CYP51A1 TP53 4067/4885KMT2A 1726/4885MAPK8 1806/4885
US-20010044434-A1 Compositions and methods of treatment for conditions responsive to testosterone elevation PDE3B, PDE3A, SHBG TP53 3697/4885KMT2A 4667/4885MAPK8 3050/4885
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A TP53 4352/4885KMT2A 3472/4885MAPK8 3498/4885
US-20110212972-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A TP53 4352/4885KMT2A 3472/4885MAPK8 3498/4885

“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.