SCHEMBL655559

SCHEMBL655559

COC(=O)Cn1ncc2cc(N)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
CSNK1A1 P48729 1/20 0.54
GSK3A P49840 1/20 0.54
LIMK1 P53667 1/20 0.54
IKBKE Q14164 1/20 0.54
MAPK14 Q16539 1/20 0.54
TAOK1 Q7L7X3 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
SYK P43405 1/20 0.50
HSP90AB1 P08238 1/20 0.48
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KMO O15229 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL655557 0.89 KMO (0.48) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL19023119 0.84 SYK (0.56) SYKKDM4EHSD17B10KMOMAOA
SCHEMBL14564354 0.84 SYK (0.48) SYKKDM4EHSD17B10KMOMAPT
SCHEMBL15447289 0.83 SYK (0.48) SYKKDM4EHSD17B10KMOMAOA
SCHEMBL13727580 0.83 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL27730024 0.81 CHEK1 (0.56) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL26356567 0.81 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4300707 0.80 NPC1 (0.56) KDM4EHSD17B10KMONPC1RAB9A
SCHEMBL655729 0.79 GLS (0.60) SYKKDM4EHSD17B10MAPTNPC1
SCHEMBL24150166 0.79 IRAK4 (0.49) SYKKDM4EKMOSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2006-01-05 US disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 US disclosed
EP-1443934-B1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-04-20 EP disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
US-20050026911-A1 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-03 US disclosed
WO-2004101533-A1 1, 3, 4-BENZOTRIAZEPIN-2-ONE SALTS AND THEIR USE AS CCK RECEPTOR LIGANDS JANSSEN PHARMACEUTICA, N.V. (US) 2004-11-25 WO disclosed
EP-1443934-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-08-11 EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 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 (15 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-20050026911-A1 Benzotriazapinone salts and methods for using same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC13A3, CLIC1 CHEK1 1928/4885AURKA 2389/4885DAPK3 4203/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CHEK1 346/4885AURKA 716/4885DAPK3 496/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT CHEK1 1601/4885AURKA 1221/4885DAPK3 1195/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A CHEK1 2788/4885AURKA 1583/4885DAPK3 1432/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A CHEK1 2535/4885AURKA 3432/4885DAPK3 332/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR CHEK1 1885/4885AURKA 4521/4885DAPK3 3628/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CHEK1 324/4885AURKA 640/4885DAPK3 467/4885

“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.