SCHEMBL969982

SCHEMBL969982

O=c1[nH]cnc2c[nH]nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.42
PDPK1 O15530 2/20 0.42
CA12 O43570 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
ADORA3 P0DMS8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4A O75164 1/20 0.39
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
ACVR1 Q04771 1/20 0.38
CHEK1 O14757 2/20 0.38
PIM1 P11309 2/20 0.38
AKT1 P31749 1/20 0.38
FLT3 P36888 1/20 0.38

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
Hydrochloric Acid SCHEMBL22119382 0.98 PARP1 (0.41) PARP1PDPK1CA12ALOX15SMN1; SMN2
2-Methoxyethanol SCHEMBL7416777 0.83 HPRT1 (0.36) ADORA3
SCHEMBL5748106 0.68
SCHEMBL11263950 0.67 MKNK1 (0.53) PARP1PDPK1CA12ALOX15SMN1; SMN2
Allopurinol SCHEMBL3739112 0.67 ALDH1A1 (0.50) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL4818670 0.65 ELANE (0.37)
Allopurinol SCHEMBL2565655 0.65 ALDH1A1 (0.48) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL7014725 0.65 KDM4A (0.50) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL325052 0.65 PARP1 (0.55) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL30787886 0.65 PARP1 (0.43) PARP1PDPK1CA12ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060488-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2017-04-13 WO claimed
EP-3099689-A1 PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2016-12-07 EP claimed
WO-2015114647-A1 PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-08-06 WO claimed
WO-2014024125-A1 PYRAZOLO[4,3-D]PYRIMIDIN-7(6H)-ONE DERIVATIVES AS PDE9 INHIBITORS CELON PHARMA S.A. (PL) 2014-02-13 WO claimed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 WO claimed
EP-1368352-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2003-12-10 EP claimed
EP-1296687-A2 TREATMENT OF MALE SEXUAL DYSFUNCTION Pfizer Limited (GB) 2003-04-02 EP claimed
WO-2002074774-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2002-09-26 WO claimed
WO-2002003995-A2 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2002-01-17 WO claimed
EP-4630405-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2025-10-15 EP disclosed
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 CN disclosed
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed
WO-2024123815-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-13 WO disclosed
WO-2024107445-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES FREEDOM BIOSCIENCES, INC. (US) 2024-05-23 WO disclosed
EP-1220856-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2002-07-10 EP disclosed
EP-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 EP disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 WO disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO disclosed
EP-0977756-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2000-02-09 EP disclosed
WO-1998049166-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 1998-11-05 WO disclosed