SCHEMBL3554899

SCHEMBL3554899

Cc1cc(C(=N)N)ccn1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.50
PRSS2 P07478 5/20 0.50
PRSS3 P35030 5/20 0.50
UHRF1 Q96T88 1/20 0.46
C1S P09871 2/20 0.45
UBE2T Q9NPD8 1/20 0.41
F2 P00734 2/20 0.39
PLG P00747 2/20 0.39
PLAU P00749 2/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
NOS1 P29475 1/20 0.39
F12 P00748 1/20 0.38
PIK3CB P42338 1/20 0.38

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 SCHEMBL20269638 0.98 PRSS1 (0.48) PRSS1PRSS2PRSS3UHRF1C1S
SCHEMBL21745897 0.81 UHRF1 (0.48) UHRF1UBE2TCCNCCDK8PIK3CB
SCHEMBL30100694 0.79 CCNC (0.50) UHRF1CCNCCDK8PIK3CB
SCHEMBL112539 0.79 CCNC (0.50) UHRF1CCNCCDK8PIK3CB
SCHEMBL18375601 0.79 CYP1A2 (0.59) UHRF1PLAUCCNCCDK8PIK3CB
SCHEMBL20415119 0.78 UHRF1 (0.38) PRSS1PRSS2PRSS3UHRF1UBE2T
Hydrochloric Acid SCHEMBL5083661 0.78 CCNC (0.49) UHRF1CCNCCDK8PIK3CB
SCHEMBL1159737 0.77 F12 (0.44) PRSS1PRSS2PRSS3C1SF2
Hydrochloric Acid SCHEMBL9792756 0.77 PRSS1 (0.50) PRSS1PRSS2PRSS3C1SF2
SCHEMBL4003603 0.76 UHRF1 (0.43) UHRF1PLAUCCNCCDK8PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104603115-A Method for preparation of thiazole derivatives DSM IP ASSETS BV 2015-05-06 CN claimed
CN-104603115-B The synthetic method of thiazole 帝斯曼知识产权资产管理有限公司 2018-01-30 CN disclosed
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 US disclosed
CN-106749268-A Heteroaryl compound and its application in medicine 广东东阳光药业有限公司 2017-05-31 CN disclosed
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2017-04-13 US disclosed
EP-2906553-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-08-19 EP disclosed
CN-104603115-A Method for preparation of thiazole derivatives DSM IP ASSETS BV 2015-05-06 CN disclosed
WO-2014057435-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO )ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-04-17 WO disclosed
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
US-4473571-A 8-Substituted-2-(4-pyridinyl)-9H-purin-6-amines and their cardiotonic use STERLING DRUG INC. (US) 1984-09-25 US disclosed
US-RE30024-E ANTIALLERGENS STERLING DRUG INC. (US) 1979-06-05 US disclosed
US-4118571-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-10-03 US disclosed
US-4109092-A FROM PYRIDINYL-CARBOXAMIDINE AND ALPHA-CHLOROACRYLONITRILE STERLING DRUG INC. (US) 1978-08-22 US disclosed
US-4086233-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-04-25 US disclosed
US-4053475-A ANTI-ALLERGIC AGENTS STERLING DRUG INC. (US) 1977-10-11 US disclosed
US-4032523-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-06-28 US disclosed
US-4018770-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-04-19 US disclosed
US-4008235-A ANTIALLERGIC STERLING DRUG INC. (US) 1977-02-15 US disclosed
US-3992380-A 5,8-Dihydro-5-oxo-2-(4-or 3-pyridinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acids and esters STERLING DRUG INC. (US) 1976-11-16 US 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 (1 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-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AAAS, MGAM, PAM PRSS1 2770/4885PRSS2 2783/4885PRSS3 3524/4885

“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.