SCHEMBL6200741

SCHEMBL6200741

CCc1c([N+](=O)[O-])c(C(N)=O)nn1Cc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
MGMT P16455 1/20 0.38
ADRA1D P25100 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA5 P31644 1/20 0.34

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
SCHEMBL6446531 0.91 SMN1; SMN2 (0.40) ALDH1A1KDM4EKMT2AMAPK1MEN1
Hydrochloric Acid SCHEMBL7394668 0.86 SMN1; SMN2 (0.36) ALDH1A1KDM4EKMT2AMAPK1MEN1
SCHEMBL6448402 0.86 CTDSP1 (0.37) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL7004394 0.85 KDM4E (0.41) ALDH1A1KDM4EKMT2AMEN1MGMT
SCHEMBL6443373 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1MEN1CYP1A2
SCHEMBL6445203 0.83 CSF1R (0.35) ALDH1A1KMT2A
SCHEMBL5827229 0.82 ADRA1D (0.40) ALDH1A1KDM4EKMT2AMAPK1MEN1
SCHEMBL6443509 0.81 CSF1R (0.37) KDM4EKMT2AMEN1L3MBTL1
Bicarbonate SCHEMBL7386270 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AMAPK1MEN1CYP1A2
Bicarbonate SCHEMBL7386267 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AMAPK1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
US-6916927-B2 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3′,5′-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC. 2005-07-12 US disclosed
CN-1207295-C Process for preparing pyrazolo [4, 3-d ] pyrimidin-7-ones and intermediates thereof PFIZER IRELAND PHARMACEUTICALS (IE) 2005-06-22 CN disclosed
EP-0994115-B1 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof PFIZER LTD (GB) 2005-03-02 EP disclosed
EP-1092720-B1 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof PFIZER LTD (GB) 2005-01-12 EP disclosed
US-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC 2004-09-16 US disclosed
EP-1220855-B1 ANHYDROUS SALT PFIZER LTD (GB) 2004-05-19 EP disclosed
US-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 US disclosed
CN-1473831-A Process for preparing pyrazolo (4,3-d) pyrimidine-7-ketone and its intermediate О 2004-02-11 CN disclosed
US-6670366-B1 Cyclic guanosine 3',5'-monophosphate phosphodiesterase inhibitors; impotence; pyrazolo(4,3-d)pyrimidin-7-ones PFIZER INC 2003-12-30 US disclosed
US-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2001-07-26 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
CN-1292379-A Preparation method of pyrazolzo [4,3-d] pyrimidine-7-ketone-3-pyridyl sulfonyl compound and its intermediate PFIZER (US) 2001-04-25 CN disclosed
EP-1092720-A2 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof Pfizer Limited (GB) 2001-04-18 EP disclosed
US-6207829-B1 CYCLIZATION OF A CORRESPONDING PYRAZOLE COMPOUND PFIZER INC. 2001-03-27 US disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
CN-1255497-A Process for preparing pyrazolo [4, 3-d ] pyrimidin-7-ones and intermediates thereof PFIZER RES & DEV (IE) 2000-06-07 CN disclosed
EP-0995750-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed
EP-0994115-A2 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2000-04-19 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 (2 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-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B ALDH1A1 266/4885KDM4E 996/4885KMT2A 4191/4885
US-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B ALDH1A1 308/4885KDM4E 1937/4885KMT2A 2876/4885

“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.