SCHEMBL209626

SCHEMBL209626

O=c1[nH]cnc2ccsc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 1.00
PARP1 P09874 4/20 1.00
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.46
ALOX15 P16050 1/20 0.46
CA9 Q16790 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
POLB P06746 1/20 0.44
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 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
Hydrochloric Acid SCHEMBL30700362 0.98 PDPK1 (0.96) PDPK1PARP1SMN1; SMN2RAB9ANPC1
SCHEMBL913347 0.76 PDPK1 (0.61) PDPK1PARP1SMN1; SMN2RAB9ANPC1
SCHEMBL3552668 0.73 PDPK1 (0.58) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL1991594 0.70
SCHEMBL6266906 0.70 SMN1; SMN2 (0.59) PDPK1PARP1SMN1; SMN2RAB9ANPC1
SCHEMBL10915904 0.68 PDPK1 (0.52) PDPK1PARP1SMN1; SMN2RAB9AMAPT
SCHEMBL2576996 0.68 PDPK1 (0.52) PDPK1PARP1SMN1; SMN2RAB9ANPC1
SCHEMBL1457910 0.68 PDPK1 (0.52) PDPK1PARP1MEN1KMT2AALDH1A1
SCHEMBL3417708 0.68 PDPK1 (0.52) PDPK1PARP1SMN1; SMN2RAB9ANPC1
SCHEMBL652836 0.68 PARP1 (0.52) PDPK1PARP1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730742-B2 Pharmaceutical use of thiophene [3,2-d] pyrimidine-4-ketone compound SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-08-22 US claimed
CN-114524826-A Preparation process of 7-bromo-4-chlorothiophene [3,2-d ] pyrimidine 郑州猫眼农业科技有限公司 2022-05-24 CN claimed
US-20210015824-A1 NOVEL PHARMACEUTICAL USE OF THIOPHENE [3,2-D] PYRIMIDINE-4-KETONE COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-01-21 US claimed
EP-3763716-A1 NOVEL PHARMACEUTICAL USE OF THIOPHENE [3, 2-D] PYRIMIDINE-4-KETONE COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-01-13 EP claimed
EP-2786998-B1 THIENYL [3, 2-D]PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-07-25 EP claimed
US-9045491-B2 Thienyl [3,2-D] pyrimidin-4-one compounds, preparation method, pharmaceutical compositions and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-02 US claimed
US-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-30 US claimed
EP-2786998-A1 THIENYL [3, 2-D]PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-10-08 EP claimed
CN-1894234-A Dipeptidyl peptidase inhibitors SYRRX INC (JP) 2007-01-10 CN claimed
EP-1608317-A4 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-12-27 EP claimed
EP-0900799-B1 Novel atropisomers of 2,3-disubstituted-(5,6)-heteroarylfused-pyrimidin-4-ones PFIZER PROD INC (US) 2005-06-08 EP claimed
CN-1596247-A Lactam derivatives as antagonists of the human 11CBY receptor SMITHKLINE BEECHAM PLC (GB) 2005-03-16 CN claimed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US claimed
US-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 US claimed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US claimed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO claimed
US-6323208-B1 COMPOUNDS TO TREAT NEURODEGENERATIVE, PSYCHOTROPIC DRUG AND ALCOHOL INDUCED CENTRAL AND INDUCED CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS. PFIZER INC 2001-11-27 US claimed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP claimed
EP-0900799-A1 Novel atropisomers of 2,3-disubstituted-(5,6)-heteroarylfused-pyrimidin-4-ones Pfizer Products Inc. (US) 1999-03-10 EP claimed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 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 (6 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-20050004117-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 PDPK1 3110/4885PARP1 3791/4885SMN1; SMN2 3765/4885
US-11730742-B2 Pharmaceutical use of thiophene [3,2-d] pyrimidine-4-ketone compound DPP4, DPP7, DPP3 PDPK1 132/4885PARP1 2650/4885SMN1; SMN2 3176/4885
US-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF DPP4, DPP7, DPP3 PDPK1 147/4885PARP1 2350/4885SMN1; SMN2 3392/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 PDPK1 2094/4885PARP1 1840/4885SMN1; SMN2 4426/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 PDPK1 2001/4885PARP1 1828/4885SMN1; SMN2 4500/4885
US-20210015824-A1 NOVEL PHARMACEUTICAL USE OF THIOPHENE [3,2-D] PYRIMIDINE-4-KETONE COMPOUND DPP4, DPP7, DPP3 PDPK1 132/4885PARP1 2683/4885SMN1; SMN2 3239/4885

“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.