SCHEMBL1223740

SCHEMBL1223740

CC(=O)N(C)c1ccc(Nc2nc(NC3CCC3)c3nc[nH]c3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.60
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
AURKA O14965 1/20 0.53
DAPK3 O43293 1/20 0.53
JAK2 O60674 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
ABL1 P00519 1/20 0.53
NTRK1 P04629 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
CSF1R P07333 1/20 0.53
RET P07949 1/20 0.53
IGF1R P08069 1/20 0.53
MET P08581 1/20 0.53
PDGFRB P09619 1/20 0.53
FGFR1 P11362 1/20 0.53

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
Hydrochloric Acid SCHEMBL6313415 0.99 SYK (0.59) SYKADORA3ADORA2AADORA1AURKA
SCHEMBL1707033 0.91 SYK (0.52) SYKADORA3ADORA2AADORA1AURKA
SCHEMBL31747057 0.85 ADORA3 (0.74) SYKADORA3ADORA2AADORA1AURKA
Hydrochloric Acid SCHEMBL29369317 0.85 ADORA3 (0.72) SYKADORA3ADORA2AADORA1AURKA
SCHEMBL12085334 0.83 JAK3 (0.63) SYKPAK4JAK3BTK
SCHEMBL1706088 0.82 SYK (0.56) SYKADORA3ADORA2AADORA1AURKA
SCHEMBL13048667 0.80 SYK (0.57) SYKJAK3BTK
SCHEMBL12085335 0.80 SYK (0.55) SYKADORA3ADORA2AADORA1AURKA
SCHEMBL7104515 0.80 ADORA3 (0.64) SYKADORA3ADORA2AADORA1PAK4
SCHEMBL18018864 0.79 BTK (0.54) SYKADORA3ADORA2AADORA1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321579-A Salts of 2-amino-1-hydroxyethyl-8-hydroxyquinolin-2 (1H) -one derivatives 阿尔米雷尔有限公司 2021-02-05 CN disclosed
EP-3024489-B1 SALTS OF 2-AMINO-1-HYDROXYETHYL-8-HYDROXYQUINOLIN-2(1H)-ONE DERIVATIVES HAVING BOTH MUSCARINIC RECEPTOR ANTAGONIST AND BETA-2 ADRENERGIC RECEPTOR AGONIST ACTIVITIES ALMIRALL SA (ES) 2020-02-19 EP disclosed
EP-2961407-B1 SALTS OF 2-AMINO-1-HYDROXYETHYL-8-HYDROXYQUINOLIN-2(1H)-ONE DERIVATIVES HAVING BOTH 2 ADRENERGIC RECEPTOR AGONIST AND M3 MUSCARINIC RECEPTOR ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2018-04-11 EP disclosed
WO-2017076990-A1 ADDITION SALTS OF N-[4-(4-{[(1S)-1-(5-METHYL-4-OXO-3-PHENYL-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)ETHYL]AMINO}-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-1H-INDOL-6-YL]SULFAMIDE ALMIRALL, S.A. (ES) 2017-05-11 WO disclosed
US-9579316-B2 Salts of 2-amino-1-hydroxyethyl-8-hydroxyquinolin-2(1H)-one derivatives having both muscarinic receptor antagonist and β2 adrenergic receptor agonist activities ALMIRALL, S.A. (ES) 2017-02-28 US disclosed
US-9562039-B2 Salts of 2-amino-1-hydroxyethyl-8-hydroxyquinolin-2(1H)-one derivatives having both β2 adrenergic receptor agonist and M3 muscarinic receptor antagonist activities ALMIRALL, S.A. (ES) 2017-02-07 US disclosed
US-9388189-B2 Pyrrolotriazinone derivatives as PI3K inhibitors ALMIRALL, S.A. (ES) 2016-07-12 US disclosed
US-20160166566-A1 SALTS OF 2-AMINO-1-HYDROXYETHYL-8-HYDROXYQUINOLIN-2(1H)-ONE DERIVATIVES HAVING BOTH MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-06-16 US disclosed
EP-3024489-A1 SALTS OF 2-AMINO-1-HYDROXYETHYL-8-HYDROXYQUINOLIN-2(1H)-ONE DERIVATIVES HAVING BOTH MUSCARINIC RECEPTOR ANTAGONIST AND 2 ADRENERGIC RECEPTOR AGONIST ACTIVITIES Almirall S.A. (ES) 2016-06-01 EP disclosed
US-9340547-B2 Pyrrolotriazinone derivatives as inhibitors P13K ALMIRALL, S.A. (ES) 2016-05-17 US disclosed
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 US disclosed
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-13 US disclosed
EP-2118100-A1 NEW 3- ([1,2,4] TRIAZOLO [4,3-A] PYRIDIN-7-YL)BENZAMIDE DERIVATIVES Almirall, S.A. (ES) 2009-11-18 EP disclosed
WO-2009132774-A1 NEW SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P39 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S. A. (ES) 2009-11-05 WO disclosed
EP-2113503-A1 New substituted indolin-2-one derivatives and their use as p39 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-11-04 EP disclosed
EP-2108641-A1 New substituted spiro[cycloalkyl-1,3'-indo]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-10-14 EP disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
WO-2008107125-A1 NEW 3-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2008-09-12 WO disclosed
EP-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 EP disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 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 (4 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-20160166566-A1 SALTS OF 2-AMINO-1-HYDROXYETHYL-8-HYDROXYQUINOLIN-2(1H)-ONE DERIVATIVES HAVING BOTH MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITIES ADRB2, ADRA2C, ADRA2A SYK 2271/4885ADORA3 297/4885ADORA2A 191/4885
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA3 SYK 2537/4885ADORA3 3/4885ADORA2A 2/4885
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES MAPK8, MAPK4, MAP3K8 SYK 1584/4885ADORA3 4753/4885ADORA2A 4372/4885
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES MAP4K2, MAP3K7, MAPK7 SYK 959/4885ADORA3 3196/4885ADORA2A 2416/4885

“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.