SCHEMBL1827221

SCHEMBL1827221

NC(=O)c1cc(C(N)=O)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
PLA2G10 O15496 3/20 0.45
MAP2K1 Q02750 1/20 0.42
LMNA P02545 1/20 0.40
MME P08473 1/20 0.39
HCAR2 Q8TDS4 5/20 0.38
DAO P14920 1/20 0.38
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
USP7 Q93009 1/20 0.35
SCN9A Q15858 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34
MC3R P41968 1/20 0.34
CYTH3 O43739 1/20 0.34
BTK Q06187 1/20 0.34
EPN1 Q9Y6I3 1/20 0.34
HCAR3 P49019 1/20 0.34

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
SCHEMBL8068037 0.87 ALPL (0.47) MAPK1HCAR2DAOCYTH3BTK
SCHEMBL5599765 0.87 HCAR2 (0.53) MAPK1PLA2G10HCAR2DAOCYTH3
SCHEMBL13279353 0.85 MAPK1 (0.47) MAPK1PLA2G10MAP2K1LMNAMME
SCHEMBL18683164 0.81 CHEK1 (0.53) MAPK1PLA2G10LMNAMMECCNC
SCHEMBL30614278 0.81 MAPK1 (0.47) MAPK1PLA2G10MAP2K1LMNAHCAR2
SCHEMBL159502 0.77
SCHEMBL4748496 0.77
SCHEMBL159501 0.77
SCHEMBL28856288 0.77
SCHEMBL4708946 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110582485-B Pyrazole derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-13 CN claimed
EP-3589618-B1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-12-28 EP claimed
CN-110582485-B Pyrazole derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-13 CN disclosed
EP-3589618-B1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-12-28 EP disclosed
US-10966961-B2 Pyrazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-04-06 US disclosed
CN-110582485-A Pyrazole derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2019-12-17 CN disclosed
EP-3147283-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR North China Pharmaceutical Company., Ltd. (CN) 2017-03-29 EP disclosed
WO-2017035360-A1 COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
WO-2017035349-A1 AMIDE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
US-9346811-B2 6,7-dihydro-pyrazolo[1,5-a]pyrazin-4-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-05-24 US disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed
EP-2681219-A1 6,7-DIHYDRO-PYRAZOLO[1,5-A]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica, N.V. (BE) 2014-01-08 EP disclosed
US-20140005200-A1 6,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2014-01-02 US disclosed
WO-2012117027-A1 6,7-DIHYDRO-PYRAZOLO[1,5-A]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-09-07 WO disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
EP-2185525-A2 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
WO-2009027601-A2 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-03-05 WO disclosed
WO-2000028087-A1 A LIBRARY OF MODIFIED PRIMERS FOR NUCLEIC ACID SEQUENCING, AND METHOD OF USE THEREOF SEQUETECH CORPORATION (US) 2000-05-18 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 (2 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-10966961-B2 Pyrazole derivatives as bromodomain inhibitors BRD3, BRD4, BRPF3 MAPK1 1170/4885PLA2G10 4083/4885MAP2K1 720/4885
US-20140005200-A1 6,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 MAPK1 2801/4885PLA2G10 2136/4885MAP2K1 3582/4885

“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.