SCHEMBL6483148

SCHEMBL6483148

CC(O)(CO)c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.37
PARP1 P09874 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
MAP3K5 Q99683 3/20 0.36
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
OGG1 O15527 1/20 0.34
AOC3 Q16853 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL22928386 1.00 TNKS (0.37) TNKSPARP1TNKS2MAP3K5CYP2A6
SCHEMBL24032604 0.81 LMNA (0.50) TNKSPARP1TNKS2ALDH1A1ALOX15
SCHEMBL7839746 0.80 HTR2C (0.38) CYP2A6ALDH1A1ALOX15OGG1AOC3
SCHEMBL14934282 0.79 TSHR (0.50) TNKSPARP1TNKS2ALDH1A1AOC3
SCHEMBL12765048 0.79 TSHR (0.50) TNKSPARP1TNKS2ALDH1A1AOC3
SCHEMBL7427753 0.79 ESR2 (0.54) ALDH1A1MEN1KMT2ATSHR
SCHEMBL1684429 0.79 CYP2A6 (0.38) CYP2A6ALDH1A1ALOX15OGG1MEN1
SCHEMBL16174369 0.79 TSHR (0.50) TNKSPARP1TNKS2ALDH1A1AOC3
SCHEMBL3045994 0.79 CNR1 (0.42) CYP2A6ALDH1A1ALOX15OGG1MEN1
SCHEMBL18545312 0.77 APP (0.39) TNKSPARP1TNKS2MAP3K5AOC3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US claimed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US claimed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP claimed
CN-113121398-B Arylalkylamine compound, preparation method and medical application thereof 上海拓界生物医药科技有限公司 2023-06-20 CN disclosed
EP-3888658-A1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO Effector Therapeutics Inc. (US) 2021-10-06 EP disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
EP-2976340-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP disclosed
WO-2014146490-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014146246-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 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 (7 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R TNKS 3010/4885PARP1 1448/4885TNKS2 3218/4885
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK TNKS 236/4885PARP1 972/4885TNKS2 252/4885
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 TNKS 1835/4885PARP1 1343/4885TNKS2 2004/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 TNKS 2992/4885PARP1 2281/4885TNKS2 3412/4885
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 TNKS 3580/4885PARP1 4750/4885TNKS2 1745/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK TNKS 236/4885PARP1 972/4885TNKS2 252/4885
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 TNKS 340/4885PARP1 1572/4885TNKS2 877/4885

“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.