SCHEMBL2054331

SCHEMBL2054331

NCc1cccc2c1CNC2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.56
DYRK1A Q13627 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
PIM1 P11309 1/20 0.56
CSNK1A1 P48729 1/20 0.56
ROCK1 Q13464 1/20 0.56
LRRK2 Q5S007 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
LTK P29376 1/20 0.49
MST1R Q04912 1/20 0.49
PNMT P11086 1/20 0.46
PARP1 P09874 5/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
KDR P35968 2/20 0.41
PARP10 Q53GL7 3/20 0.41
PARP11 Q9NR21 3/20 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
SCHEMBL30073077 1.00 CDK5 (0.56) CDK5DYRK1ACLK4PIM1CSNK1A1
Oxalic Acid SCHEMBL2039314 0.92 CDK5 (0.49) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL12219092 0.84 CDK5 (0.58) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL12194616 0.78 CDK5 (0.51) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL6297547 0.77 CDK5 (0.50) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL28224570 0.76 CLK4 (0.53) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL5660425 0.76 CLK4 (0.49) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL29531999 0.76 CDK5 (0.45) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL867264 0.76 PARP1 (0.68) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL30914266 0.76 PARP1 (0.68) CDK5DYRK1ACLK4PIM1CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353667-A Method and material for reducing waste 李蓁蓁 2022-11-18 CN disclosed
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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 (3 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK CDK5 1360/4885DYRK1A 414/4885CLK4 2976/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK CDK5 1360/4885DYRK1A 414/4885CLK4 2976/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK CDK5 1360/4885DYRK1A 414/4885CLK4 2976/4885

“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.