SCHEMBL4776155

SCHEMBL4776155

Cn1c(Cc2ccccc2)cc2cnc(NC3CCCC3)nc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.53
MAPK8 P45983 7/20 0.51
MAPK14 Q16539 6/20 0.48
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CCND2 P30279 1/20 0.47
CCND3 P30281 1/20 0.47
LCK P06239 1/20 0.46
CTSK P43235 2/20 0.46
CTSS P25774 1/20 0.46
MERTK Q12866 2/20 0.42
AXL P30530 1/20 0.42
TYRO3 Q06418 1/20 0.42
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL5900490 0.75 CCND1 (0.63) CDK4CCND1
SCHEMBL5900351 0.75 CCND1 (0.62) CDK4CCND1
SCHEMBL4774992 0.74 ADORA1 (0.45) FGFR1MAPK8MAPK14CDK4CCND1
SCHEMBL14014588 0.74 MAPK14 (0.83) FGFR1MAPK8MAPK14LCKMAPK9
SCHEMBL4770644 0.72 CTSS (0.43) FGFR1CTSKCTSS
SCHEMBL5900625 0.71 CCNE1 (0.63) CDK4CCND1
SCHEMBL24670367 0.71 CCND1 (0.72) FGFR1MAPK8CDK4CCND1CCND2
SCHEMBL3304431 0.71 CCND1 (0.72) FGFR1MAPK8CDK4CCND1CCND2
SCHEMBL14014590 0.70 MAPK8 (0.84) FGFR1MAPK8MAPK14LCKMAPK9
SCHEMBL14004183 0.70 CTSS (0.41) FGFR1CTSKCTSS

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 16 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
CN-100386328-C Bicyclic pyridine and pyrimidine P38 kinase inhibitors HOFFMANN LA ROCHE (CH) 2008-05-07 CN 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
CN-1639168-A Bicyclic pyridine and pyrimidine P38 kinase inhibitors HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed
EP-1485390-A1 BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS F. Hoffman-la Roche AG (CH) 2004-12-15 EP disclosed
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors ROCHE PALO ALTO LLC 2003-11-06 US disclosed
WO-2003074530-A1 BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2003-09-12 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 (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 FGFR1 587/4885MAPK8 14/4885MAPK14 46/4885
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAPKAPK2 FGFR1 432/4885MAPK8 5/4885MAPK14 43/4885
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 FGFR1 587/4885MAPK8 14/4885MAPK14 46/4885

“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.