SCHEMBL325052

SCHEMBL325052

O=c1[nH]cnc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.55
PDPK1 O15530 2/20 0.55
CA12 O43570 1/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA9 Q16790 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55
ACVR1 Q04771 4/20 0.48
ADORA3 P0DMS8 1/20 0.46
KDM4A O75164 1/20 0.46
KDM4B O94953 1/20 0.46
KDM5C P41229 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL30083057 0.86 L3MBTL1 (0.44) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL31038815 0.76 PSMD14 (0.43) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL5139409 0.74 KDM4A (0.44) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL192176 0.73 KDM4E (0.41) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL27983253 0.71 PARP1 (1.00) PARP1PDPK1CA12ALOX15SMN1; SMN2
Quinazolinone SCHEMBL88525 0.71 PARP1 (1.00) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL26038410 0.71 MAPK1 (0.50) PARP1ALDH1A1KDM4EJAK2
SCHEMBL4681318 0.71 PARP1 (0.40) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL10637102 0.71 PARP1 (0.53) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL10759 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136060-A Methods of treating inflammatory diseases 里邦医疗公司 2023-11-28 CN claimed
EP-3728207-B1 QUINAZOLINONES AS PARP14 INHIBITORS RIBON THERAPEUTICS INC (US) 2023-02-01 EP claimed
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 CN claimed
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 US claimed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 US claimed
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 US claimed
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 US claimed
EP-3129367-A1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2017-02-15 EP claimed
WO-2015157093-A1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2015-10-15 WO claimed
US-7169926-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-30 US claimed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US claimed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO claimed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO claimed
US-20040167095-A1 Use of PDE V inhibitors for improved fecundity in mammals WESTBROOK SIMON LEMPRIERE (GB) 2004-08-26 US claimed
EP-1365806-A2 USE OF NO ACTTIVATORS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2003-12-03 EP claimed
US-20020128171-A1 Methods for prevention and treatment of gastrointestinal disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-12 US claimed
WO-2001078781-A9 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS UNIV JOHNS HOPKINS (US) 2002-07-25 WO claimed
WO-2001078781-A2 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2001-10-25 WO claimed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP claimed
EP-0537937-A2 Substituted pyrazino 2,3-D pyrimidinones as angiotensin II antagonists MERCK & CO. INC. (US) 1993-04-21 EP claimed

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-20040167095-A1 Use of PDE V inhibitors for improved fecundity in mammals PDE5A, PDE2A, PDE3A PARP1 574/4885PDPK1 165/4885CA12 4793/4885
US-20020128171-A1 Methods for prevention and treatment of gastrointestinal disorders VIP, GIPR, IAPP PARP1 2937/4885PDPK1 1508/4885CA12 1646/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 PARP1 1816/4885PDPK1 948/4885CA12 1074/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 PARP1 1840/4885PDPK1 2094/4885CA12 352/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 PARP1 1184/4885PDPK1 741/4885CA12 1559/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 PARP1 1180/4885PDPK1 928/4885CA12 1393/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 PARP1 1816/4885PDPK1 948/4885CA12 1074/4885

“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.