SCHEMBL9928490

SCHEMBL9928490

CC(C)(C)c1ccc2cnccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KIF11 P52732 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
IMPDH2 P12268 3/20 0.32
ROCK2 O75116 1/20 0.31
LATS1 O95835 3/20 0.31
LATS2 Q9NRM7 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
CTSA P10619 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
PRKCZ Q05513 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
SCHEMBL13249607 0.84 MAP4K4 (0.39) CCR4KIF11IMPDH2LATS1LATS2
SCHEMBL13576375 0.82 HDAC3 (0.36) MALT1ROCK2LATS1LATS2CTSA
SCHEMBL5912585 0.80 MALT1 (0.43) MALT1KIF11PDE3BPDE3AIMPDH2
Hydrochloric Acid SCHEMBL28280557 0.78 MALT1 (0.43) MALT1KIF11PDE3BPDE3AIMPDH2
SCHEMBL26797948 0.75 KCNH2 (0.32) KCNH2HRH3
SCHEMBL13666782 0.74 LATS1 (0.36) CCR4ROCK2LATS1LATS2
SCHEMBL26795820 0.74 LATS1 (0.36) CCR4ROCK2LATS1LATS2ALDH1A1
SCHEMBL13990478 0.73 CSNK1D (0.38) ROCK2LATS1LATS2ALDH1A1
SCHEMBL4291880 0.72 PDE3B (0.35) MALT1PDE3BPDE3AIMPDH2ROCK2
SCHEMBL762342 0.72 CYP1A2 (0.52) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates PFIZER INC. (US) 2023-08-01 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2020-10-29 US disclosed
CN-104870458-B Metal complex 默克专利有限公司 2019-02-15 CN disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 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 (12 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CCR4 138/4885MALT1 396/4885KCNH2 194/4885
US-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 CCR4 3661/4885MALT1 957/4885KCNH2 4324/4885
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 CCR4 4575/4885MALT1 3047/4885KCNH2 574/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CCR4 2986/4885MALT1 3544/4885KCNH2 622/4885
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 CCR4 2627/4885MALT1 3038/4885KCNH2 3875/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 CCR4 1464/4885MALT1 2143/4885KCNH2 1842/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 CCR4 3469/4885MALT1 841/4885KCNH2 3668/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 CCR4 1464/4885MALT1 2143/4885KCNH2 1842/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 CCR4 2543/4885MALT1 1279/4885KCNH2 3700/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 CCR4 1824/4885MALT1 4541/4885KCNH2 1959/4885
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates SULT1E1, SULT2A1, STS CCR4 2290/4885MALT1 203/4885KCNH2 3314/4885
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B CCR4 572/4885MALT1 1204/4885KCNH2 2371/4885

“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.