SCHEMBL4765878

SCHEMBL4765878

Fc1ccccc1Cc1cc2cnc(NC3CCOCC3)nc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.59
MAPK1 P28482 12/20 0.49
LCK P06239 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
GAK O14976 1/20 0.39
RPS6KA4 O75676 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1D P48730 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MAPK10 P53779 1/20 0.39
DDR1 Q08345 1/20 0.39
MAPK11 Q15759 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
COQ8A Q8NI60 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
STK36 Q9NRP7 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
SCHEMBL4776152 0.84 MAPK14 (0.53) MAPK14MAPK1GAKRPS6KA4PRKD3
SCHEMBL4776143 0.79 MAPK14 (0.44) MAPK14MAPK1LCKCCNE1CDK2
SCHEMBL4765914 0.77 MAPK14 (0.46) MAPK14MAPK1LCKCCNE1CDK2
SCHEMBL29593969 0.75 MAPK14 (1.00) MAPK14MAPK1LCKGAKRPS6KA4
SCHEMBL5114111 0.75 MAPK14 (1.00) MAPK14MAPK1LCKGAKRPS6KA4
SCHEMBL14040927 0.74 ADORA2A (0.38) MAPK14MAPK1RPS6KA4MAPK8MAPK9
SCHEMBL14004188 0.74 MAPK1 (0.49) MAPK14MAPK1LCKMAPK8MAPK9
SCHEMBL4771405 0.73 MAPK14 (0.43) MAPK14MAPK1LCKCDK2MAPK8
SCHEMBL4776423 0.72 MAPK14 (0.63) MAPK14MAPK1GAKRPS6KA4PRKD3
SCHEMBL14004218 0.72 HDAC3 (0.46) MAPK14MAPK1LCKMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449472-B2 Methods of inhibiting p38 with substituted bicyclic pyrimidines ROCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449472-B2 Methods of inhibiting p38 with substituted bicyclic pyrimidines ROCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7439247-B2 Bicyclic pyridine and pyrimidine P38 kinase inhibitors ROCHE PALO ALTOP LLC (US) 2008-10-21 US disclosed
US-7439247-B2 Bicyclic pyridine and pyrimidine P38 kinase inhibitors ROCHE PALO ALTOP LLC (US) 2008-10-21 US disclosed
US-7439247-B2 Bicyclic pyridine and pyrimidine P38 kinase inhibitors ROCHE PALO ALTOP LLC (US) 2008-10-21 US disclosed
EP-1485390-B1 BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7091347-B2 Bicyclic pyridine and pyrimidine p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2006-08-15 US disclosed
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors CHEN JIAN J 2006-04-20 US disclosed
US-20050288312-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors CHEN JIAN J 2005-12-29 US disclosed
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors ROCHE PALO ALTO LLC 2003-11-06 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 (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-20050288312-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 MAPK14 46/4885MAPK1 1/4885LCK 112/4885
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAPKAPK2 MAPK14 43/4885MAPK1 1/4885LCK 89/4885
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 MAPK14 46/4885MAPK1 1/4885LCK 112/4885

“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.