SCHEMBL568309

SCHEMBL568309

CCC(=O)c1ccnc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
AR P10275 3/20 0.42
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL30770731 1.00 ATM (0.45) ATMARKDM1AHDAC1HDAC6
Bromide SCHEMBL27949951 0.98 ATM (0.44) ATMARKDM1AHDAC1HDAC6
SCHEMBL17441422 0.86 HPGD (0.47) ARKDM1AHDAC1HDAC6MEN1
SCHEMBL1886206 0.83 GSK3B (0.48) ARKDM1AHDAC1HDAC6MAPT
SCHEMBL30935127 0.83 GSK3B (0.48) ARKDM1AHDAC1HDAC6MAPT
SCHEMBL1890248 0.81 ACHE (0.41) ARKDM1AHDAC1HDAC6MEN1
SCHEMBL3466469 0.81 AR (0.38) ARKDM1AHDAC1HDAC6MAPT
SCHEMBL27827224 0.79 AR (0.40) ARKDM1AHDAC1HDAC6SMN1; SMN2
SCHEMBL362870 0.79 UHRF1 (0.43) ATMHDAC1HDAC6MEN1KMT2A
SCHEMBL2799836 0.79 KCNK3 (0.48) ATMMEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1765503-A Quarternary ammonium salt of quinine compound, its preparation method and use NANJING UNIVERSITY OF TECHNOLOGY (CN) 2006-05-03 CN claimed
WO-2024003773-A1 2,7-NAPHTHYRIDINE COMPOUNDS AS MASTL INHIBITORS PFIZER INC. (US) 2024-01-04 WO disclosed
CN-106946775-B Compound and application thereof in preparation of anti-hepatitis C virus medicine 清华大学 2020-04-10 CN disclosed
CN-104995183-B Novel phosphodiesterase type 10A inhibitor compounds 艾伯维公司 2018-04-06 CN disclosed
CN-105348299-B Fused tricyclic compounds as RAF kinase inhibitors 百济神州有限公司 2017-12-15 CN disclosed
CN-105348299-A Condensed tricyclic compounds as RAF kinase inhibitors BEIGENE LTD 2016-02-24 CN disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
CN-103596926-B Fused tricyclic compounds as RAF kinase inhibitors BEIGENE, LTD. (KY) 2015-11-25 CN disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
CN-101410387-A Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene-and furan-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-04-15 CN disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
CN-101123964-A G-protein coupled receptor (GPR116) agonists and their use for the treatment of obesity and diabetes PROSIDION LTD (GB) 2008-02-13 CN disclosed
CN-1765503-A Quarternary ammonium salt of quinine compound, its preparation method and use NANJING UNIVERSITY OF TECHNOLOGY (CN) 2006-05-03 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 (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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 ATM 2439/4885AR 3341/4885KDM1A 636/4885

“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.