SCHEMBL10323683

SCHEMBL10323683

O=C(O)c1cc2cnc(NC3CCC(O)CC3)nc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 9/20 0.46
▸ MAPK9 P45984 6/20 0.46
▸ MAPK10 P53779 4/20 0.44
▸ MAPK14 Q16539 2/20 0.42
▸ RIPK2 O43353 1/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ JUN P05412 1/20 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
SCHEMBL10323449 0.76 DYRK1A (0.43) —
SCHEMBL16802771 0.76 MAPK8 (0.66) MAPK8MAPK9MAPK10MAPK14RIPK2
SCHEMBL17910207 0.76 MAPK8 (0.66) MAPK8MAPK9MAPK10MAPK14RIPK2
SCHEMBL30892313 0.76 MAPK8 (0.65) MAPK8MAPK9GSK3AGSK3B
SCHEMBL31532080 0.76 MAPK14 (0.47) MAPK8MAPK9MAPK10MAPK14GSK3B
SCHEMBL14391661 0.71 MAPK8 (0.57) MAPK8MAPK9MAPK10MAPK14RIPK2
SCHEMBL10322403 0.71 KDM4E (0.47) —
SCHEMBL558518 0.71 CSNK2A1 (0.58) MAPK8MAPK9MAPK10
SCHEMBL558517 0.71 CSNK2A1 (0.58) MAPK8MAPK9MAPK10
SCHEMBL30693042 0.70 HCAR3 (0.57) MAPK8MAPK9MAPK10ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO claimed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US claimed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — 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 (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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD MAPK8 2282/4885MAPK9 1565/4885MAPK10 1866/4885

“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.

Send feedback