SCHEMBL4859569

SCHEMBL4859569

CCOC(=O)N1CCC(Nc2ncc3cc(Oc4ccc(F)cc4F)ccc3n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.69
MAPK14 Q16539 5/20 0.55
CDK2 P24941 7/20 0.51
CDK1 P06493 3/20 0.51
CDK4 P11802 3/20 0.51
CCND1 P24385 3/20 0.51
CCNA2 P20248 4/20 0.51
CDK7 P50613 4/20 0.51
CCNH P51946 4/20 0.51
MNAT1 P51948 4/20 0.51
CCNK O75909 3/20 0.51
CDK12 Q9NYV4 3/20 0.51
GAK O14976 1/20 0.46
RPS6KA4 O75676 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1D P48730 1/20 0.46
RPS6KA3 P51812 1/20 0.46

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
SCHEMBL4855986 0.85 NOS2 (0.61) MAPK8CDK2CDK1CDK4CCND1
SCHEMBL14003195 0.83 MAPK8 (0.67) MAPK8MAPK14CDK2CDK1CDK4
SCHEMBL5114582 0.81 MAPK8 (1.00) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL4858175 0.81 MAPK14 (0.60) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL14003196 0.81 MAPK8 (0.59) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL3067448 0.79 BRAF (0.57)
SCHEMBL14457338 0.79 MAPK8 (0.52) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL23063748 0.78 CDK7 (0.62) MAPK8CDK2CCNA2CDK7CCNH
SCHEMBL14014477 0.75 MAPK8 (0.88) MAPK8MAPK14GAKRPS6KA4PRKD3
SCHEMBL30335907 0.74 MAPK8 (0.87) MAPK8MAPK14CDK2CDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456185-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2008-11-25 US disclosed
US-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors DUNN JAMES P 2007-07-19 US disclosed
US-7238698-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-07-03 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 (1 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-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors MAPK1, MAPK7, MAPK3 MAPK8 5/4885MAPK14 12/4885CDK2 245/4885

“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.