SCHEMBL10129496

SCHEMBL10129496

CC(C)(C)c1cc2ccccn2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CDK7 P50613 1/20 0.47
TYRO3 Q06418 1/20 0.47
LRRK2 Q5S007 1/20 0.47
AURKB Q96GD4 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
MAPT P10636 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
TP53 P04637 8/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL3351948 0.84 MAP4K4 (0.45) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL12539695 0.82 TP53 (0.50) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL20275624 0.81 MAP4K4 (0.40) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL20276282 0.80 GRN (0.33) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL24037454 0.77 MAP4K4 (0.32) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL27474645 0.77 MAPK14 (0.42) NPC1RAB9AGRNSORT1TSHR
SCHEMBL434570 0.75 MAP4K4 (0.54) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL25086260 0.74 GRN (0.37) MAPTSMN1; SMN2GRNSORT1ALDH1A1
SCHEMBL24656101 0.74 NR3C1 (0.47) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL26824437 0.74 MAP4K4 (0.43) MAP4K4ABL1MAPK8CSNK1A1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118894856-A Pyrazole-containing polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-11-05 CN disclosed
CN-118894855-A Pyrazole-containing polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-11-05 CN disclosed
CN-114222746-B Pyrazole-containing polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-02 CN disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230270753-A1 COMBINATIONS OF GABAA ALPHA 5 AGONISTS AND SV2A INHIBITORS AND METHODS OF USING IN THE TREATMENT OF COGNITIVE IMPAIRMENT AGENEBIO, INC. 2023-08-31 US disclosed
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-31 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 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-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 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-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 MAP4K4 4096/4885ABL1 923/4885MAPK8 1859/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP MAP4K4 3848/4885ABL1 3678/4885MAPK8 3926/4885
US-20230270753-A1 COMBINATIONS OF GABAA ALPHA 5 AGONISTS AND SV2A INHIBITORS AND METHODS OF USING IN THE TREATMENT OF COGNITIVE IMPAIRMENT GABRA5, GRM5, GABRA2 MAP4K4 4474/4885ABL1 4641/4885MAPK8 3482/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 MAP4K4 40/4885ABL1 1744/4885MAPK8 2/4885
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 MAP4K4 3043/4885ABL1 3378/4885MAPK8 1729/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 MAP4K4 2393/4885ABL1 931/4885MAPK8 2498/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF MAP4K4 3496/4885ABL1 139/4885MAPK8 2364/4885
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF NR5A1, WEE1, SHBG MAP4K4 1491/4885ABL1 1853/4885MAPK8 1296/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAP4K4 1676/4885ABL1 1873/4885MAPK8 2141/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 MAP4K4 4099/4885ABL1 965/4885MAPK8 1844/4885
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B MAP4K4 3610/4885ABL1 3732/4885MAPK8 3275/4885

“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.