SCHEMBL3557515

SCHEMBL3557515

CSc1nccc(-c2cnc3ccccn23)n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.65
IRAK4 Q9NWZ3 10/20 0.54
MAPK10 P53779 1/20 0.54
DYRK3 O43781 1/20 0.52
DYRK2 Q92630 1/20 0.52
CDK2 P24941 4/20 0.50
MAPK8 P45983 3/20 0.50
MAPK9 P45984 2/20 0.50
PKM P14618 1/20 0.50
IGF1R P08069 2/20 0.48
CCNA2 P20248 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
FLT3 P36888 2/20 0.45

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
SCHEMBL4804170 0.78 DYRK1A (0.66) DYRK1AIRAK4MAPK10DYRK3DYRK2
SCHEMBL182990 0.78 DYRK1A (0.66) DYRK1AIRAK4MAPK10CDK2MAPK8
SCHEMBL5094082 0.78 MAPK8 (0.50) MAPK10CDK2MAPK8MAPK9
SCHEMBL27584973 0.77 CDK2 (0.67) CDK2
SCHEMBL21208267 0.76 DYRK1A (0.52) DYRK1AIRAK4MAPK10CDK2MAPK8
SCHEMBL3548686 0.76 DYRK1A (0.62) DYRK1AIRAK4MAPK10DYRK2CDK2
SCHEMBL183868 0.74 MAPK9 (0.54) DYRK1ADYRK3DYRK2CDK2MAPK9
SCHEMBL17943211 0.73 CDK2 (0.77) DYRK1AIRAK4MAPK10CDK2MAPK8
SCHEMBL12272986 0.73 CSNK1E (0.58) DYRK1ADYRK3DYRK2CDK2CCNA2
SCHEMBL412757 0.73 MAPK14 (0.49) CDK2CCNA2CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
CN-100415744-C 2-arylamino-pyrimidines for the treatment of GSK3-related disorders ASTRAZENECA AB (SE) 2008-09-03 CN disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
US-7345050-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-03-18 US disclosed
US-7345050-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-03-18 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
CN-1823064-A 2-arylamino-pyrimidines for the treatment of GSK 3-related disorders ASTRAZENECA AB (SE) 2006-08-23 CN disclosed
CN-1174981-C Imidazo [1, 2-A ] pyridine and pyrazolo [2, 3-A ] pyridine derivatives 2004-11-10 CN disclosed
US-20040077642-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2004-04-22 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 (2 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A DYRK1A 483/4885IRAK4 720/4885MAPK10 568/4885
US-20040077642-A1 Pyrimidine compounds TYMP, DPYD, TYMS DYRK1A 3773/4885IRAK4 2970/4885MAPK10 3206/4885

“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.