SCHEMBL2404549

SCHEMBL2404549

CCc1n[nH]c(C(N)=O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
CDK8 P49336 2/20 0.33
CCNC P24863 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
GDA Q9Y2T3 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33

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
SCHEMBL1349 0.85 GLA (0.40) PDPK1GDAALDH1A1HTTRECQL
SCHEMBL13851103 0.81 UMPS (0.40) PDPK1CDK8CCNCCCNA2CDK2
SCHEMBL2588574 0.81 HCAR2 (0.38) PDPK1CDK8CCNCCCNA2CDK2
SCHEMBL13815833 0.77 HCAR2 (0.32) PDPK1CDK8CCNCHCAR2
SCHEMBL13211644 0.74 PDPK1 (0.45) PDPK1GDACCNA2CDK2CCNA1
SCHEMBL1527741 0.74 SMN1; SMN2 (0.41) CDK8CCNCKDM4EALDH1A1HPGD
SCHEMBL6336859 0.74 PDPK1 (0.41) PDPK1CDK8CCNCGDACCNA2
SCHEMBL3804253 0.73 GAA (0.40) PDPK1CDK8CDK19GABRPGABRD
SCHEMBL5054555 0.73 PDPK1 (0.35) PDPK1UMPS
SCHEMBL16972561 0.72 PDPK1 (0.33) PDPK1GDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102267986-B Pyrazole bisamide compounds as well as synthesis method and application thereof UNIV CHINA AGRICULTURAL 2014-04-16 CN disclosed
CN-102267986-A Pyrazole bisamide compounds as well as synthesis method and application thereof 2011-12-07 CN disclosed
US-20110212972-A1 Compositions and Methods for Treating Female Sexual Dysfunction PFIZER INC 2011-09-01 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PFIZER INC. 2009-10-22 US disclosed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 US disclosed
CN-100383141-C Pyrazolo [4,3-d] pyrimidine derivatives PFIZER (US) 2008-04-23 CN disclosed
CN-100378100-C Pyrazolo(4,3-d)pyrimidine derivatives PFIZER (US) 2008-04-02 CN disclosed
EP-1440709-B1 Combinations comprising cGMP PDE5 inhibitors. PFIZER LTD (GB) 2007-12-05 EP disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 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-2001051042-A2 TREATMENT OF DIABETIC ULCERS PFIZER LIMITED (GB) 2001-07-19 WO disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US 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
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
CN-1253561-A Pyrazolopyrimidinones inhibiting type 5 cyclic guanosine 3',5' -monophosphate phosphodiesterase (cGMP PDE5) for the treatment of sexual dysfunction PFIZER LTD (US) 2000-05-17 CN disclosed
EP-0995750-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 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 (4 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-20090131370-A1 Novel Nucleoside Derivatives SLC29A1, SLC29A2, PNP PDPK1 1904/4885CDK8 751/4885CCNC 1189/4885
US-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B PDPK1 1565/4885CDK8 2974/4885CCNC 3401/4885
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A PDPK1 2359/4885CDK8 3404/4885CCNC 2568/4885
US-20110212972-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A PDPK1 2359/4885CDK8 3404/4885CCNC 2568/4885

“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.