SCHEMBL5786

SCHEMBL5786

Cc1cc(Br)ccc1CC#N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.49
PYCR1 P32322 5/20 0.47
KCNH2 Q12809 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPK1 P28482 2/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NOD2 Q9HC29 1/20 0.31
ALDH1A1 P00352 2/20 0.31
BACE1 P56817 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL29507220 1.00 CSNK2A1 (0.49) CSNK2A1PYCR1KCNH2ESR1ESR2
SCHEMBL15820796 0.84 CSNK2A1 (0.49) CSNK2A1PYCR1KCNH2MAPK1TSHR
Tetrabuthylammonium SCHEMBL3968566 0.82 CSNK2A1 (0.37) CSNK2A1PYCR1LMNAHTT
SCHEMBL26938806 0.81 PYCR1 (0.45) CSNK2A1PYCR1KCNH2ESR1ESR2
SCHEMBL2112768 0.79 CSNK2A1 (0.51) CSNK2A1PYCR1ESR1ESR2MAPK1
SCHEMBL1822997 0.79 PYCR1 (0.44) PYCR1TSHRL3MBTL1LMNAHTT
SCHEMBL1581581 0.78 CSNK2A1 (0.47) CSNK2A1PYCR1KCNH2MAPK1TSHR
SCHEMBL1096617 0.76 CYP2A6 (0.49) KCNH2MAPK1L3MBTL1LMNAHTT
SCHEMBL17157309 0.76 CSNK2A1 (0.49) CSNK2A1KCNH2ESR1ESR2MAPK1
SCHEMBL5439280 0.76 TRPV4 (0.34) CSNK2A1ESR1ESR2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361241-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2025-11-27 US disclosed
US-12454534-B2 Pyrrolo[2,3-b]pyrazines as HPK1 inhibitor and the use thereof BEONE MEDICINES I GMBH (CH) 2025-10-28 US disclosed
EP-4538274-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2025-04-16 EP disclosed
US-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity SRX CARDIO, LLC (US) 2024-04-02 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023237085-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF 贝达药业股份有限公司 2023-12-14 WO disclosed
CN-116102550-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2023-05-12 CN disclosed
CN-116082307-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2023-05-09 CN disclosed
CN-115894480-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2023-04-04 CN disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-7151105-B2 Inhibitors of Hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-19 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 US disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 WO disclosed
US-6465485-B1 SUCH AS 7-CYANO-2-(2-(1-(4-(2-INDOLYL)CARBOXAMIDO)CYCLO-HEXYL)ETHYL)-1,2,3,4 -TETRAHYDROISOQUINOLINE; ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-15 US disclosed
EP-0983244-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-08 EP disclosed
WO-1998050364-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 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 (6 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-20250361241-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF STK11, STK35, STK10 CSNK2A1 116/4885PYCR1 2532/4885KCNH2 4143/4885
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT CSNK2A1 784/4885PYCR1 1998/4885KCNH2 3594/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT CSNK2A1 784/4885PYCR1 1998/4885KCNH2 3594/4885
US-12454534-B2 Pyrrolo[2,3-b]pyrazines as HPK1 inhibitor and the use thereof PDXK, STK25, STK35 CSNK2A1 151/4885PYCR1 805/4885KCNH2 3339/4885
US-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP CSNK2A1 897/4885PYCR1 2259/4885KCNH2 4244/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 CSNK2A1 684/4885PYCR1 1663/4885KCNH2 3331/4885

“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.