SCHEMBL4771405

SCHEMBL4771405

c1ccc(Sc2cc3cnc(NC4CCOCC4)nc3s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
MAPK1 P28482 9/20 0.41
LCK P06239 1/20 0.41
MAPK8 P45983 2/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAPK3 P27361 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL4774902 0.80 MAPK14 (0.48) MAPK14MAPK1MAPK8MAPK9MAPK10
SCHEMBL14004218 0.76 HDAC3 (0.46) MAPK14MAPK1LCKMAPK8MAPK9
SCHEMBL14004188 0.76 MAPK1 (0.49) MAPK14MAPK1LCKMAPK8MAPK9
SCHEMBL4765878 0.73 MAPK14 (0.59) MAPK14MAPK1LCKMAPK8MAPK9
SCHEMBL4776152 0.72 MAPK14 (0.53) MAPK14MAPK1MAPK8MAPK9MAPK10
SCHEMBL14040923 0.72 MAPK1 (0.42) MAPK14MAPK1LCKMAPK8MAPK9
SCHEMBL4765914 0.71 MAPK14 (0.46) MAPK14MAPK1LCKMAPK8MAPK9
SCHEMBL4775106 0.71 MAPK14 (0.48) MAPK14MAPK1LCKMAPK8MAPK3
SCHEMBL4776143 0.71 MAPK14 (0.44) MAPK14MAPK1LCKMAPK8MAPK9
SCHEMBL4770629 0.71 MAPK1 (0.51) 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 12 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-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
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.