SCHEMBL128193

SCHEMBL128193

COc1ccccc1C(=N)N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.56
CA4 P22748 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CTSD P07339 1/20 0.53
MRGPRX1 Q96LB2 1/20 0.49
HTT P42858 2/20 0.48
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.46
STAT3 P40763 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL29970206 1.00 CA1 (0.56) CA1CA2CA12CA4CA7
Hydrochloric Acid SCHEMBL3284355 0.98 CA1 (0.54) CA1CA2CA12CA4CA7
Hydrochloric Acid SCHEMBL31037950 0.98 CA1 (0.54) CA1CA2CA12CA4CA7
Acetic Acid SCHEMBL16815575 0.91 HTT (0.54) CA1CA2CA12CA4CA7
SCHEMBL7721608 0.89 MRGPRX1 (0.55) CA1CA2CA12CA4CA7
SCHEMBL28869683 0.84 CA1 (0.48) CA1CA2CA12CA4CA7
SCHEMBL29975469 0.82 F10 (0.46) CA1CA2CA12CA4CA7
SCHEMBL3226264 0.82 KMT2A (0.51) CA1CA2CA12CA4CA7
SCHEMBL1544934 0.82 KLK1 (0.58) CA1CA2CA12CA4CA7
SCHEMBL27863827 0.80 KLK1 (0.44) CA1CA2CA12CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104926883-B The preparation method of the symmetrical double molybdenum structure complexs of methyl-carbithionic acid bridging 同济大学 2017-11-07 CN claimed
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP claimed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO claimed
EP-0103126-B1 PROCESS FOR PREPARING 4-AMINO-5-DIALKOXYMETHYLPYRIMIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1987-03-04 EP claimed
US-4492792-A Process for preparing 4-amino-5-dialkoxy-methylpyrimidine derivatives UBE INDUSTRIES, LTD. (JP) 1985-01-08 US claimed
EP-0103126-A1 Process for preparing 4-amino-5-dialkoxymethylpyrimidine derivatives UBE INDUSTRIES, LTD. (JP) 1984-03-21 EP 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
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
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 US disclosed
WO-2020163236-A1 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 WO disclosed
EP-0351058-B1 PYRIMIDOPYRIMIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-06-02 EP disclosed
US-5162316-A Pyrimido[4,5-d]pyrimidine derivatives for use as bronchodilators SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-11-10 US disclosed
EP-0351058-A1 Pyrimidopyrimidine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-17 EP disclosed
EP-0347146-A2 Fused pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP disclosed
EP-0103126-B1 PROCESS FOR PREPARING 4-AMINO-5-DIALKOXYMETHYLPYRIMIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1987-03-04 EP disclosed
US-4492792-A Process for preparing 4-amino-5-dialkoxy-methylpyrimidine derivatives UBE INDUSTRIES, LTD. (JP) 1985-01-08 US disclosed
EP-0103126-A1 Process for preparing 4-amino-5-dialkoxymethylpyrimidine derivatives UBE INDUSTRIES, LTD. (JP) 1984-03-21 EP 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-12595251-B2 Amidines and amidine analogs for the treatment of bacterial infections and potentiation antibiotics CLIC1, CBR3, CBR1 CA1 3973/4885CA2 1082/4885CA12 3573/4885
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRM1, OPRD1, OXER1 CA1 3084/4885CA2 3244/4885CA12 3911/4885
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, SOD1, ROS1 CA1 1814/4885CA2 3295/4885CA12 2344/4885

“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.