SCHEMBL428920

SCHEMBL428920

COc1cccc(C(=N)N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 1.00
PRSS2 P07478 3/20 1.00
PRSS3 P35030 3/20 1.00
PARP1 P09874 1/20 0.67
F2 P00734 7/20 0.61
F10 P00742 3/20 0.61
CES2 O00748 1/20 0.60
CES1 P23141 1/20 0.60
PLG P00747 1/20 0.57
C1S P09871 1/20 0.57

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 SCHEMBL427173 0.98 PRSS1 (0.96) PRSS1PRSS2PRSS3PARP1F2
Hydrochloric Acid SCHEMBL23541004 0.98 PRSS1 (0.96) PRSS1PRSS2PRSS3PARP1F2
Hydrochloric Acid SCHEMBL28548914 0.98 PRSS1 (0.96) PRSS1PRSS2PRSS3PARP1F2
SCHEMBL4971524 0.82 PRSS1 (0.69) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL7974185 0.82 F2 (0.75) PRSS1PRSS2PRSS3F2F10
SCHEMBL10143566 0.81 PRSS1 (0.68) PRSS1PRSS2PRSS3PARP1F2
SCHEMBL283787 0.80 PARP1 (1.00) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL7458676 0.80 PARP1 (0.67) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL2888543 0.80 PARP1 (0.67) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL23235805 0.80 PRSS1 (0.67) PRSS1PRSS2PRSS3F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12595251-B2 Amidines and amidine analogs for the treatment of bacterial infections and potentiation antibiotics GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2026-04-07 US disclosed
US-12209092-B2 Inhibitors of GLI1 as therapeutic agents NEW YORK UNIVERSITY (US) 2025-01-28 US disclosed
US-20240150506-A1 CURING AGENTS FOR FLUOROELASTOMERS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-05-09 US disclosed
CN-117529520-A Fluoroelastomer compositions containing curative 杜邦特种产品美国有限公司 2024-02-06 CN disclosed
EP-4305096-A1 FLUOROELASTOMERS COMPOSITION COMPRISING CURING AGENTS Dupont Specialty Products USA, LLC (US) 2024-01-17 EP disclosed
CN-115532318-B MOF-supported metal catalyst and preparation method and application thereof 江南大学 2023-07-21 CN disclosed
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-13 US disclosed
US-20230202983-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-06-29 US disclosed
EP-3883932-B1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-03-29 EP disclosed
CN-115532318-A MOF-loaded metal catalyst and preparation method and application thereof 江南大学 2022-12-30 CN disclosed
WO-2007042806-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 WO disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-7022718-B2 Pyridine and pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20050143405-A1 Pyridine and pyrimidine derivatives BOEHRINGER MARKUS (CH) 2005-06-30 US disclosed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 US disclosed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 US disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 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 (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-12209092-B2 Inhibitors of GLI1 as therapeutic agents GLI1, GLI2, SHH PRSS1 4261/4885PRSS2 4732/4885PRSS3 4767/4885
US-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 PRSS1 283/4885PRSS2 1024/4885PRSS3 555/4885
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 PRSS1 3403/4885PRSS2 4367/4885PRSS3 4527/4885
US-20230202983-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 PRSS1 3403/4885PRSS2 4367/4885PRSS3 4527/4885
US-12595251-B2 Amidines and amidine analogs for the treatment of bacterial infections and potentiation antibiotics CLIC1, CBR3, CBR1 PRSS1 2532/4885PRSS2 3156/4885PRSS3 2796/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK PRSS1 217/4885PRSS2 895/4885PRSS3 372/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG PRSS1 38/4885PRSS2 49/4885PRSS3 86/4885

“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.