SCHEMBL534382

SCHEMBL534382

NCc1ccc(-c2nccs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 1.00
ADRB2 P07550 4/20 0.61
PDPK1 O15530 1/20 0.59
LTA4H P09960 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CYP2A6 P11509 2/20 0.47
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT1 Q99873 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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 SCHEMBL533729 0.98 LOXL2 (0.96) LOXL2ADRB2PDPK1LTA4HHRH3
SCHEMBL722198 0.85 PDPK1 (0.77) LOXL2ADRB2PDPK1CYP2A6SLC6A4
SCHEMBL3969950 0.85 LOXL2 (0.73) LOXL2ADRB2PDPK1CYP2A6SLC6A4
SCHEMBL1019025 0.84 LOXL2 (0.72) LOXL2ADRB2PDPK1CYP2A6CARM1
SCHEMBL21791658 0.83 LOXL2 (0.71) LOXL2ADRB2PDPK1CYP2A6SLC6A4
SCHEMBL28861493 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6SLC6A4
SCHEMBL6852601 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6SLC6A4
SCHEMBL1439923 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6SLC6A4
SCHEMBL28842595 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6SLC6A4
SCHEMBL533558 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109054648-A Serosity combination for chemically mechanical polishing LTCAM有限公司 2018-12-21 CN claimed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
CN-106608873-B Pyrazol acid amide compounds and the preparation method and application thereof 湖南化工研究院有限公司 2019-05-24 CN disclosed
CN-108373476-A A kind of kinase inhibitor and its preparation and application 成都地奥制药集团有限公司 2018-08-07 CN disclosed
CN-106608873-A Pyrazole amide compound, and preparation method and application thereof 湖南化工研究院有限公司 2017-05-03 CN disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 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 (8 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 LOXL2 2084/4885ADRB2 291/4885PDPK1 4464/4885
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A LOXL2 3531/4885ADRB2 4469/4885PDPK1 69/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 LOXL2 2084/4885ADRB2 291/4885PDPK1 4464/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF LOXL2 559/4885ADRB2 3864/4885PDPK1 3582/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A LOXL2 3480/4885ADRB2 4576/4885PDPK1 93/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 LOXL2 3514/4885ADRB2 230/4885PDPK1 4554/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 LOXL2 3514/4885ADRB2 230/4885PDPK1 4554/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A LOXL2 3531/4885ADRB2 4469/4885PDPK1 69/4885

“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.