SCHEMBL4828155

SCHEMBL4828155

CCOc1cc2cnc(NC3CCNCC3)nc2n(C)c1=O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 12/20 0.67
MAPK14 Q16539 9/20 0.56
GAK O14976 1/20 0.52
RPS6KA4 O75676 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
MAPK1 P28482 1/20 0.52
MAPK9 P45984 1/20 0.52
CSNK1D P48730 1/20 0.52
RPS6KA3 P51812 1/20 0.52
MAPK10 P53779 1/20 0.52
DDR1 Q08345 1/20 0.52
MAPK11 Q15759 1/20 0.52
TAOK1 Q7L7X3 1/20 0.52
COQ8A Q8NI60 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52
STK36 Q9NRP7 1/20 0.52
NLK Q9UBE8 1/20 0.52

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
SCHEMBL5121177 0.87 MAPK8 (0.81) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL4834344 0.87 MAPK14 (0.72) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL4899133 0.84 MAPK8 (0.69) MAPK8
SCHEMBL14410870 0.84 MAPK8 (0.63) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL14280048 0.83 MAPK8 (0.74) MAPK8MAPK14
SCHEMBL14595108 0.82 MAPK8 (0.80) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL5112240 0.81 MAPK8 (0.85) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL5120262 0.80 MAPK8 (0.85) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL16799550 0.76 MAPK8 (0.73) MAPK8MAPK9MAPK10
SCHEMBL4832255 0.76 MAPK14 (0.74) MAPK8MAPK14GAKRPS6KA4PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320987-B2 6-Alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2008-01-22 US disclosed
US-7320987-B2 6-Alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2008-01-22 US disclosed
US-7320987-B2 6-Alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2008-01-22 US disclosed
EP-1539755-B1 6-ALKOXY-PYRIDO-PYRIMIDINES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-20070167484-A1 6-Alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M 2007-07-19 US disclosed
US-20070167484-A1 6-Alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M 2007-07-19 US disclosed
US-20070167484-A1 6-Alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M 2007-07-19 US disclosed
US-7196097-B2 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196097-B2 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196097-B2 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-20060276646-A1 6-alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M 2006-12-07 US disclosed
US-7105525-B2 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2006-09-12 US disclosed
US-6965030-B2 6-alkoxy-pyrido-pyridine ROCHE PALO ALTO LLC (US) 2005-11-15 US disclosed
US-20050203300-A1 6-Alkoxy-pyrido-pyrimidines GOLDSTEIN DAVID M (US) 2005-09-15 US disclosed
EP-1539755-A1 6-ALKOXY-PYRIDO-PYRIMIDINES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-20040038999-A1 6-alkoxy-pyrido-pyrimidines ROCHE PALO ALTO LLC 2004-02-26 US disclosed
WO-2004014907-A1 6-ALKOXY-PYRIDO-PYRIMIDINES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 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-20040038999-A1 6-alkoxy-pyrido-pyrimidines CYP2B6, CYP2D6, CNR1 MAPK8 4373/4885MAPK14 4498/4885GAK 1098/4885
US-20060276646-A1 6-alkoxy-pyrido-pyrimidines PDXK, PNPO, CYP2D6 MAPK8 4307/4885MAPK14 4426/4885GAK 193/4885
US-20050203300-A1 6-Alkoxy-pyrido-pyrimidines CCNO, CCNY, PNPO MAPK8 4351/4885MAPK14 4398/4885GAK 1129/4885
US-20070167484-A1 6-Alkoxy-pyrido-pyrimidines CCNO, PNPO, CYP2B6 MAPK8 4288/4885MAPK14 4565/4885GAK 960/4885

“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.