SCHEMBL877445

SCHEMBL877445

CC(C)c1n[nH]c2ccc(Br)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.58
JAK2 O60674 3/20 0.58
FLT3 P36888 3/20 0.51
CLK4 Q9HAZ1 3/20 0.51
DYRK1A Q13627 3/20 0.51
PRKD3 O94806 2/20 0.51
MAP4K4 O95819 2/20 0.51
CSF1R P07333 2/20 0.51
CLK2 P49760 2/20 0.51
CSNK2A1 P68400 2/20 0.51
MAP4K2 Q12851 2/20 0.51
NTRK3 Q16288 2/20 0.51
AURKB Q96GD4 2/20 0.51
DCLK1 O15075 1/20 0.51
CHEK2 O96017 1/20 0.51
FER P16591 1/20 0.51
CDK2 P24941 1/20 0.51
MARK3 P27448 1/20 0.51
FLT4 P35916 1/20 0.51
MAPK9 P45984 1/20 0.51

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
SCHEMBL20875256 0.86 PDPK1 (0.54) PDPK1JAK2FLT3CLK4DYRK1A
SCHEMBL11886213 0.86 PDPK1 (0.58) PDPK1JAK2FLT3CLK4DYRK1A
SCHEMBL31482872 0.82 PDPK1 (0.58) PDPK1JAK2FLT3CLK4DYRK1A
SCHEMBL12123795 0.80 MAP2K4 (0.50) FADS1GSK3BCHEK1HPGDMAPT
SCHEMBL12120600 0.80 HTR1D (0.41) PDPK1JAK2FLT3CLK4DYRK1A
SCHEMBL23068049 0.80 PDPK1 (0.47) PDPK1JAK2FLT3CLK4DYRK1A
SCHEMBL23067968 0.80 PDPK1 (0.47) PDPK1JAK2FLT3CLK4DYRK1A
SCHEMBL905992 0.79 PDPK1 (0.54) PDPK1JAK2FLT3CLK4DYRK1A
SCHEMBL12963901 0.79 ITK (0.43) HTR2AHTR2CFADS1GSK3BGSK3A
SCHEMBL22890815 0.79 GSK3B (0.59) PDPK1JAK2CLK4DYRK1APRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119095828-A Indazole compound, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-12-06 CN disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-20230331699-A1 PREPARATION METHOD FOR CDK4/6 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-19 US disclosed
US-20230331699-A1 PREPARATION METHOD FOR CDK4/6 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-19 US disclosed
WO-2023186058-A1 INDAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2023-10-05 WO disclosed
WO-2021259203-A1 PREPARATION METHOD FOR CDK4/6 INHIBITOR 正大天晴药业集团股份有限公司 2021-12-30 WO disclosed
CN-113135858-A Preparation method of 5-bromo-2-methyl-3-isopropyl-indazole 倍而达药业(苏州)有限公司 2021-07-20 CN disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
US-8227605-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORPORATION (US) 2012-07-24 US disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 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 (4 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDPK1 518/4885JAK2 1153/4885FLT3 2861/4885
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 PDPK1 113/4885JAK2 42/4885FLT3 506/4885
US-20230331699-A1 PREPARATION METHOD FOR CDK4/6 INHIBITOR CDK4, CDK6, CDK2 PDPK1 81/4885JAK2 196/4885FLT3 279/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDPK1 518/4885JAK2 1153/4885FLT3 2861/4885

“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.