SCHEMBL5488750

SCHEMBL5488750

Nc1cn2ccnc2cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.47
KEAP1 Q14145 1/20 0.44
NUDT1 P36639 1/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
TGFBR1 P36897 5/20 0.33
NAMPT P43490 1/20 0.32
PIK3CG P48736 2/20 0.31
MET P08581 1/20 0.30
TGFBR2 P37173 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL2629380 0.76 TGFBR1 (0.43) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL27389547 0.74 DYRK1A (0.40) DYRK1AKEAP1NUDT1MEN1CYP1A2
SCHEMBL11266549 0.74 DYRK1A (0.40) DYRK1AKEAP1NUDT1MEN1CYP1A2
SCHEMBL599662 0.74 DYRK1A (0.40) DYRK1AKEAP1NUDT1MEN1CYP1A2
SCHEMBL30029521 0.74 DYRK1A (0.41) DYRK1AKEAP1NUDT1MEN1CYP1A2
SCHEMBL2197403 0.74 KEAP1 (0.53) DYRK1AKEAP1NUDT1MEN1CYP1A2
SCHEMBL17324577 0.71 NAMPT (0.39) DYRK1AKEAP1NUDT1MEN1CYP1A2
SCHEMBL21500646 0.71 NAMPT (0.44) DYRK1AKEAP1MEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL31250002 0.70 NAMPT (0.43) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL921592 0.70 KEAP1 (0.58) DYRK1AKEAP1NUDT1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2021-09-23 US claimed
CN-118063491-A Imide catalyst auxiliary agent, polyimide film and preparation method 中国科学院化学研究所 2024-05-24 CN disclosed
US-20230203034-A1 IMIDAZOLONYLQUINOLINES AND THE USE THEREOF AS ATM KINASE INHIBITORS MERCK PATENT GMBH (DE) 2023-06-29 US disclosed
US-20230203034-A1 IMIDAZOLONYLQUINOLINES AND THE USE THEREOF AS ATM KINASE INHIBITORS MERCK PATENT GMBH (DE) 2023-06-29 US disclosed
US-20210198257-A1 IMIDAZOLONYLQUINOLINES AND THE USE THEREOF AS ATM KINASE INHIBITORS MERCK PATENT GMBH (DE) 2021-07-01 US disclosed
US-10975075-B2 Imidazolonylquinolines and the use thereof as ATM kinase inhibitors MERCK PATENT GMBH (DE) 2021-04-13 US disclosed
EP-3560924-B1 IMIDAZOLONYL QUINOLINES AND THEIR USE AS ATM KINASE INHIBITORS MERCK PATENT GMBH (DE) 2021-03-31 EP disclosed
US-10745399-B2 Imidazolonylquinolines and the use thereof as ATM kinase inhibitors MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
EP-3560924-A1 IMIDAZOLONYL QUINOLINES AND THEIR USE AS ATM KINASE INHIBITORS Merck Patent GmbH (DE) 2019-10-30 EP disclosed
US-20190211013-A1 IMIDAZOLONYLQUINOLINES AND THE USE THEREOF AS ATM KINASE INHIBITORS MERCK PATENT GMBH (DE) 2019-07-11 US disclosed
EP-3277681-B1 IMIDAZOLONYLQUINOLINES AND THEIR USE AS ATM KINASE INHIBITORS MERCK PATENT GMBH (DE) 2019-05-08 EP disclosed
US-20180072715-A1 IMIDAZOLONYLQUINOLINES AND THE USE THEREOF AS ATM KINASE INHIBITORS MERCK PATENT GMBH (DE) 2018-03-15 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US disclosed
EP-1732509-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION The Procter and Gamble Company (US) 2006-12-20 EP disclosed
WO-2005097052-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 WO disclosed
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-20 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 (9 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-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists ADORA2A, ADORA1, ADORA3 DYRK1A 2788/4885KEAP1 2789/4885NUDT1 34/4885
US-20230203034-A1 IMIDAZOLONYLQUINOLINES AND THE USE THEREOF AS ATM KINASE INHIBITORS ATM, CHEK2, CHEK1 DYRK1A 1168/4885KEAP1 240/4885NUDT1 2048/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 DYRK1A 4382/4885KEAP1 3250/4885NUDT1 165/4885
US-20190211013-A1 IMIDAZOLONYLQUINOLINES AND THE USE THEREOF AS ATM KINASE INHIBITORS ATM, CHEK2, CHEK1 DYRK1A 1168/4885KEAP1 240/4885NUDT1 2048/4885
US-10975075-B2 Imidazolonylquinolines and the use thereof as ATM kinase inhibitors ATM, CHEK2, CHEK1 DYRK1A 1136/4885KEAP1 418/4885NUDT1 2628/4885
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, JUP DYRK1A 2166/4885KEAP1 146/4885NUDT1 2262/4885
US-20210198257-A1 IMIDAZOLONYLQUINOLINES AND THE USE THEREOF AS ATM KINASE INHIBITORS ATM, CHEK2, CHEK1 DYRK1A 1168/4885KEAP1 240/4885NUDT1 2048/4885
US-10745399-B2 Imidazolonylquinolines and the use thereof as ATM kinase inhibitors ATM, CHEK2, CHEK1 DYRK1A 621/4885KEAP1 678/4885NUDT1 2980/4885
US-20180072715-A1 IMIDAZOLONYLQUINOLINES AND THE USE THEREOF AS ATM KINASE INHIBITORS ATM, CHEK2, CHEK1 DYRK1A 1557/4885KEAP1 352/4885NUDT1 2644/4885

“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.