SCHEMBL4770629

SCHEMBL4770629

c1cc2cnc(NC3CCOCC3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.51
MAPK8 P45983 2/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPK14 Q16539 7/20 0.41
LCK P06239 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 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
SCHEMBL14004188 0.75 MAPK1 (0.49) MAPK1MAPK8MAPK9MAPK10HDAC3
SCHEMBL16266502 0.72 MAPK1 (0.53) MAPK1MAPK8MAPK9MAPK10HDAC3
SCHEMBL30850810 0.71 MAPK1 (0.59) MAPK1MAPK8MAPK9MAPK10HDAC3
SCHEMBL4771405 0.71 MAPK14 (0.43) MAPK1MAPK8MAPK9MAPK10HDAC3
SCHEMBL6885119 0.70 MAPK1 (0.62) MAPK1MAPK8MAPK9MAPK10HDAC3
SCHEMBL22729058 0.70 MAPK1 (0.66) MAPK1MAPK8MAPK9MAPK10HDAC3
SCHEMBL3052427 0.69 MAPK8 (0.60) MAPK1MAPK8MAPK9MAPK10HDAC3
SCHEMBL14004218 0.69 HDAC3 (0.46) MAPK1MAPK8MAPK9MAPK10HDAC3
SCHEMBL24710348 0.69 MAPK1 (0.64) MAPK1MAPK8MAPK9MAPK10HDAC3
SCHEMBL30277891 0.69 MAPK1 (0.64) MAPK1MAPK8MAPK9MAPK10HDAC3

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 MAPK1 1/4885MAPK8 14/4885MAPK9 26/4885
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAPKAPK2 MAPK1 1/4885MAPK8 5/4885MAPK9 21/4885
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 MAPK1 1/4885MAPK8 14/4885MAPK9 26/4885

“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.