SCHEMBL1932040

SCHEMBL1932040

Cc1cnc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
NOTUM Q6P988 1/20 0.46
MAPKAPK2 P49137 3/20 0.43
DGAT1 O75907 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATR Q13535 1/20 0.40
NAMPT P43490 2/20 0.39
GRIN2B Q13224 1/20 0.39
BCL2 P10415 1/20 0.38
SYK P43405 1/20 0.38
FSHR P23945 1/20 0.37
ABL1 P00519 1/20 0.37
CYP17A1 P05093 1/20 0.37

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
SCHEMBL30832555 1.00 GSK3B (0.46) GSK3BDYRK1ANOTUMMAPKAPK2DGAT1
SCHEMBL28781893 0.84 GAA (0.46) GSK3BDYRK1ANOTUMMAPKAPK2DGAT1
SCHEMBL29008076 0.83 MAPKAPK2 (0.46) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL21695369 0.82 NOTUM (0.50) NOTUMMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL22259406 0.82 GSK3B (0.43) GSK3BDYRK1AMAPKAPK2MEN1KMT2A
SCHEMBL2666942 0.82 MAPKAPK2 (0.43) GSK3BDYRK1AMAPKAPK2TSHRATR
SCHEMBL29498375 0.82 GSK3B (0.43) GSK3BDYRK1AMAPKAPK2MEN1KMT2A
SCHEMBL26947076 0.82 GSK3B (0.43) GSK3BDYRK1AMAPKAPK2ATRNAMPT
SCHEMBL8815572 0.81 GSK3B (0.42) GSK3BDYRK1AMAPKAPK2TSHRATR
SCHEMBL32681571 0.81 SIRT6 (0.42) GSK3BDYRK1AMAPKAPK2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102863396-A Chemical synthesis method for N-Boc-5-aminopyrazine-2-formaldehyde UNIV NANTONG 2013-01-09 CN claimed
US-11826365-B2 Type II raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-28 US disclosed
US-11826365-B2 Type II raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-28 US disclosed
US-11826365-B2 Type II raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-28 US disclosed
US-20200297721-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 US disclosed
US-20200297721-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 US disclosed
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2020-05-26 US disclosed
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2020-05-26 US disclosed
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
US-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-08-15 US disclosed
US-7709475-B2 5-[2-(cyclohexyloxy)-6-methyl-4-pyrimidinyl]-2-[5-(4-methyl-1-piperazinyl)methyl-2-pyrazinyl]amino-1,3-thiazole; anticarcinogenic agent; G1 phase in cell cycle; great selectivity BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-04 US disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton BANYU PHARMACEUTICAL CO., LTD (JP) 2008-04-03 US disclosed
US-7067506-B2 Compounds useful for inhibiting Chk1 ICOS CORPORATION (US) 2006-06-27 US disclosed
US-20050245525-A1 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2005-11-03 US disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 EP disclosed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 US disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 WO disclosed
WO-2001079262-A1 PYRAZINONE AND PYRIDINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO 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-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 GSK3B 347/4885DYRK1A 440/4885NOTUM 3016/4885
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, PCNA, CHEK2 GSK3B 1598/4885DYRK1A 1162/4885NOTUM 3034/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 GSK3B 1598/4885DYRK1A 1162/4885NOTUM 3034/4885
US-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton CDK4, CDK6, CDK3 GSK3B 494/4885DYRK1A 357/4885NOTUM 2452/4885
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 GSK3B 347/4885DYRK1A 440/4885NOTUM 3016/4885
US-11826365-B2 Type II raf kinase inhibitors BRAF, RAF1, ARAF GSK3B 579/4885DYRK1A 544/4885NOTUM 4533/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 GSK3B 1598/4885DYRK1A 1162/4885NOTUM 3034/4885
US-20200297721-A1 TYPE II RAF KINASE INHIBITORS BRAF, RAF1, ARAF GSK3B 579/4885DYRK1A 544/4885NOTUM 4533/4885

“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.