SCHEMBL340668

SCHEMBL340668

O=c1[nH]c2nccnc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.44
ACHE P22303 1/20 0.44
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
CDK5 Q00535 3/20 0.41
TYRO3 Q06418 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
AURKA O14965 2/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
RET P07949 2/20 0.41
PIM1 P11309 2/20 0.41
KDR P35968 2/20 0.41
RPS6KA3 P51812 2/20 0.41
MAP4K2 Q12851 2/20 0.41
AURKB Q96GD4 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PAK4 O96013 1/20 0.41

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
SCHEMBL3961933 1.00 GDA (0.44) GDAACHEGSK3AGSK3BCDK5
SCHEMBL30572345 1.00 GDA (0.44) GDAACHEGSK3AGSK3BCDK5
Hydrochloric Acid SCHEMBL3957661 0.97 GDA (0.43) GDAACHEGSK3AGSK3BCDK5
Trifluoroacetic Acid SCHEMBL3954861 0.80 BRAF (0.33) GDAACHEGSK3AGSK3BPDE3B
SCHEMBL932546 0.80 KDM4E (0.46) GDAACHEGSK3AGSK3BCDK5
SCHEMBL29545868 0.80 KDM4E (0.46) GDAACHEGSK3AGSK3BCDK5
Hydrochloric Acid SCHEMBL28868510 0.78 KDM4E (0.44) GDAACHEGSK3AGSK3BCDK5
Water SCHEMBL6479622 0.78 KDM4E (0.44) GDAACHEGSK3AGSK3BCDK5
Hydrochloric Acid SCHEMBL30431695 0.78 KDM4E (0.44) GDAACHEGSK3AGSK3BCDK5
SCHEMBL5438576 0.77 KDM4E (0.40) GDAACHEGSK3AGSK3BCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US claimed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP claimed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US claimed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO claimed
CN-117447298-A Synthetic method of halogenated methyl difluoromethyl benzene 上海泰坦科技股份有限公司 2024-01-26 CN disclosed
EP-3845538-B1 DIHYDROIMIDAZOPYRAZINONE COMPOUND, COMPOSITION INCLUDING SAME, AND USE THEREOF SHENZHEN TARGETRX INC (CN) 2023-11-08 EP disclosed
US-20230271949-A1 GLP-1R MODULATING COMPOUNDS ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-08-31 US disclosed
US-20220273650-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2022-09-01 US disclosed
CN-110577543-B Dihydroimidazopyrazinone compound, composition containing dihydroimidazopyrazinone compound and application of dihydroimidazopyrazinone compound 深圳市塔吉瑞生物医药有限公司 2022-07-08 CN disclosed
CN-110577543-B Dihydroimidazopyrazinone compound, composition containing dihydroimidazopyrazinone compound and application of dihydroimidazopyrazinone compound 深圳市塔吉瑞生物医药有限公司 2022-07-08 CN disclosed
CN-110577543-B Dihydroimidazopyrazinone compound, composition containing dihydroimidazopyrazinone compound and application of dihydroimidazopyrazinone compound 深圳市塔吉瑞生物医药有限公司 2022-07-08 CN disclosed
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-01-27 US disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed
US-20080090806-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
WO-2008016669-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
US-20060106022-A1 Imidazo[4,5-b]pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-18 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 (8 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP GDA 888/4885ACHE 3752/4885GSK3A 3146/4885
US-20220273650-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR GDA 3204/4885ACHE 4830/4885GSK3A 705/4885
US-20060106022-A1 Imidazo[4,5-b]pyrazinone inhibitors of protein kinases AURKA, AURKC, AURKB GDA 4621/4885ACHE 3135/4885GSK3A 167/4885
US-20080090806-A1 Cgrp Receptor Antagonists CCKBR, BDKRB1, BDKRB2 GDA 2122/4885ACHE 793/4885GSK3A 2605/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 GDA 4394/4885ACHE 162/4885GSK3A 718/4885
US-20230271949-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 GDA 3629/4885ACHE 3236/4885GSK3A 712/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 GDA 2272/4885ACHE 2815/4885GSK3A 327/4885
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 GDA 2213/4885ACHE 4826/4885GSK3A 115/4885

“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.