SCHEMBL1690470

SCHEMBL1690470

CC(C)(C)c1ccc2[nH]nc(N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.55
PDPK1 O15530 2/20 0.55
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
JAK3 P52333 4/20 0.47
ROCK1 Q13464 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
TYK2 P29597 3/20 0.47
PRKD3 O94806 2/20 0.47
LIMK1 P53667 2/20 0.47
PLK4 O00444 2/20 0.47
DAPK3 O43293 2/20 0.47
DYRK3 O43781 2/20 0.47
ROCK2 O75116 2/20 0.47
MAP4K4 O95819 2/20 0.47
CDK1 P06493 2/20 0.47
CDK2 P24941 2/20 0.47
MARK3 P27448 2/20 0.47

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
SCHEMBL12907189 0.86 JAK2 (0.66) JAK2PDPK1JAK3ROCK1CLK4
SCHEMBL84515 0.85 PDPK1 (0.55) JAK2PDPK1KIF11KDM4ECYP3A4
SCHEMBL28871206 0.82 JAK2 (0.65) JAK2PDPK1KIF11JAK3ROCK1
SCHEMBL29968032 0.82 JAK2 (0.65) JAK2PDPK1KIF11JAK3ROCK1
SCHEMBL14346059 0.82 MITF (0.43) JAK2PDPK1JAK3ROCK1CLK4
SCHEMBL21018486 0.81 KIF11 (0.47) JAK2PDPK1KIF11JAK3ROCK1
SCHEMBL84539 0.81 KIF11 (0.47) JAK2PDPK1KIF11JAK3ROCK1
SCHEMBL2409215 0.81 MAP2K4 (0.58) JAK2PDPK1KIF11KDM4ECYP3A4
SCHEMBL20085919 0.80 KIF11 (0.46) JAK2PDPK1KIF11JAK3ROCK1
SCHEMBL14827609 0.80 KIF11 (0.46) JAK2PDPK1KIF11JAK3ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
US-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO LTD (JP) 2023-06-15 US disclosed
US-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO LTD (JP) 2023-06-15 US disclosed
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 US disclosed
US-20210395234-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO. LTD. (JP) 2021-12-23 US disclosed
WO-2021215545-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 WO disclosed
WO-2021215545-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 WO disclosed
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
WO-2020085493-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2020-04-30 WO disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 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 (11 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA JAK2 161/4885PDPK1 10/4885KIF11 4257/4885
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 JAK2 3178/4885PDPK1 1760/4885KIF11 2903/4885
US-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 JAK2 2452/4885PDPK1 2597/4885KIF11 2879/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 JAK2 237/4885PDPK1 1712/4885KIF11 1031/4885
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 JAK2 3178/4885PDPK1 1760/4885KIF11 2903/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 JAK2 2/4885PDPK1 70/4885KIF11 3937/4885
US-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C KRAS, NRAS, HRAS JAK2 122/4885PDPK1 1382/4885KIF11 1525/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 JAK2 3178/4885PDPK1 1760/4885KIF11 2903/4885
US-20210395234-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF HDAC11, RCOR3, BICRA JAK2 16/4885PDPK1 2291/4885KIF11 990/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 JAK2 622/4885PDPK1 1668/4885KIF11 1038/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 JAK2 441/4885PDPK1 2713/4885KIF11 2545/4885

“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.