SCHEMBL428330

SCHEMBL428330

N=C(N)c1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.63
PRSS1 P07477 7/20 0.57
PRSS2 P07478 5/20 0.57
PRSS3 P35030 5/20 0.57
F2 P00734 3/20 0.57
C1S P09871 1/20 0.57
PLG P00747 1/20 0.57
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.53
F10 P00742 3/20 0.52
F12 P00748 1/20 0.52
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
PKM P14618 1/20 0.52
NOS1 P29475 1/20 0.50
BLM P54132 1/20 0.50
CTSL P07711 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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 SCHEMBL1436193 0.98 PRSS1 (0.61) PARP1PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL22573964 0.98 PRSS1 (0.61) PARP1PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL28551375 0.98 PRSS1 (0.61) PARP1PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL23540425 0.98 PRSS1 (0.61) PARP1PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL1435853 0.96 PARP1 (0.59) PARP1PRSS1PRSS2PRSS3F2
SCHEMBL15547311 0.83 PRSS1 (0.70) PRSS1PRSS2PRSS3F2C1S
Hydrochloric Acid SCHEMBL28555629 0.80 PRSS1 (0.74) PRSS1PRSS2PRSS3F2C1S
Hydrochloric Acid SCHEMBL28253026 0.80 PRSS1 (0.74) PRSS1PRSS2PRSS3F2C1S
SCHEMBL284142 0.77 PARP1 (1.00) PARP1CES2CES1PKMBLM
SCHEMBL2031034 0.77 PARP1 (0.63) PARP1CES2CES1PKMCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118507836-B Electrolyte for secondary lithium metal battery 深圳欣界能源科技有限公司 2024-09-17 CN claimed
CN-118507836-A Electrolyte for secondary lithium metal battery 深圳欣界能源科技有限公司 2024-08-16 CN claimed
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
CN-118507836-B Electrolyte for secondary lithium metal battery 深圳欣界能源科技有限公司 2024-09-17 CN disclosed
CN-118507836-A Electrolyte for secondary lithium metal battery 深圳欣界能源科技有限公司 2024-08-16 CN 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
WO-2022192006-A1 FLUOROELASTOMERS COMPOSITION COMPRISING CURING AGENTS DUPONT POLYMERS, INC. (US) 2022-09-15 WO disclosed
CN-109153649-B Allosteric modulators of nicotinic acetylcholine receptors 默沙东公司 2022-04-19 CN disclosed
EP-3433234-B1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME (US) 2021-10-27 EP 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
WO-2004062609-A2 PYRIMIDINE DERIVATIVES AS IL-8 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2004-07-29 WO disclosed
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA, LLC 2004-05-06 US disclosed
CN-1134264-C antithrombotic agent 2004-01-14 CN 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
CN-1147205-A antithrombotic agent LILLY CO ELI (US) 1997-04-09 CN 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 (3 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-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 PARP1 923/4885PRSS1 283/4885PRSS2 1024/4885
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists CXCL8, IL1RN, IL18 PARP1 2763/4885PRSS1 3442/4885PRSS2 4101/4885
US-12595251-B2 Amidines and amidine analogs for the treatment of bacterial infections and potentiation antibiotics CLIC1, CBR3, CBR1 PARP1 3023/4885PRSS1 2532/4885PRSS2 3156/4885

“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.