SCHEMBL4804170

SCHEMBL4804170

Nc1nccc(-c2cnc3ccccn23)n1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.66
MAP3K14 Q99558 1/20 0.62
PKM P14618 1/20 0.61
CDK2 P24941 3/20 0.58
CDK4 P11802 1/20 0.58
IRAK4 Q9NWZ3 9/20 0.54
MAPK10 P53779 1/20 0.54
IGF1R P08069 1/20 0.54
MAPK8 P45983 3/20 0.53
MAPK9 P45984 2/20 0.53
FLT3 P36888 2/20 0.48
DYRK3 O43781 1/20 0.48
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
DYRK2 Q92630 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
HDAC1 Q13547 1/20 0.47

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
SCHEMBL72955 0.85 CDK2 (0.50) DYRK1AMAP3K14PKMCDK2CDK4
SCHEMBL182990 0.82 DYRK1A (0.66) DYRK1APKMCDK2IRAK4MAPK10
SCHEMBL26363435 0.80 PKM (0.62) DYRK1APKMIRAK4FLT3
SCHEMBL29883730 0.79 MAP3K14 (0.66) DYRK1AMAP3K14CDK2IGF1RMAPK9
SCHEMBL3557515 0.78 DYRK1A (0.65) DYRK1APKMCDK2IRAK4MAPK10
SCHEMBL1614011 0.77 MAP3K14 (1.00) DYRK1AMAP3K14CDK2CDK4FLT3
SCHEMBL17943211 0.76 CDK2 (0.77) DYRK1APKMCDK2CDK4IRAK4
SCHEMBL3548686 0.76 DYRK1A (0.62) DYRK1APKMCDK2CDK4IRAK4
SCHEMBL10238506 0.76 PKM (0.61) DYRK1APKMCDK2IRAK4IGF1R
SCHEMBL29868755 0.76 PKM (0.54) DYRK1APKMCDK2IRAK4MAPK10

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
CN-100415744-C 2-arylamino-pyrimidines for the treatment of GSK3-related disorders ASTRAZENECA AB (SE) 2008-09-03 CN disclosed
US-7345050-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-03-18 US disclosed
CN-1294131-C Pyrimidine compound ASTRAZENECA AB (SE) 2007-01-10 CN 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
CN-1537112-A Pyrimidine compound 2004-10-13 CN disclosed
US-20040077642-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2004-04-22 US disclosed
EP-1373266-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002065979-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES ASTRAZENECA AB (SE) 2002-08-29 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 (1 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-20040077642-A1 Pyrimidine compounds TYMP, DPYD, TYMS DYRK1A 3773/4885MAP3K14 2655/4885PKM 858/4885

“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.