SCHEMBL473468

SCHEMBL473468

O=C(O)C1CCC(Nc2nccc(-n3nnc4ccccc43)n2)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 10/20 0.78
MAPK9 P45984 10/20 0.78
MAPK10 P53779 9/20 0.78
CCNE1 P24864 7/20 0.78
CDK2 P24941 7/20 0.78
CYP2C9 P11712 2/20 0.78
CDK1 P06493 1/20 0.70
CDK4 P11802 1/20 0.70
CCNB1 P14635 1/20 0.70
CCND1 P24385 1/20 0.70
MKNK1 Q9BUB5 8/20 0.52
MKNK2 Q9HBH9 7/20 0.52
IDH1 O75874 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL4004010 1.00 MAPK8 (0.78) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473602 0.91 MAPK8 (0.80) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL4000544 0.91 MAPK8 (0.76) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473603 0.91 MAPK8 (0.80) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL4000541 0.91 MAPK8 (0.76) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473583 0.89 MAPK8 (0.77) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473585 0.89 MAPK8 (0.77) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473566 0.88 MAPK8 (0.85) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473393 0.88 MAPK8 (1.00) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL473392 0.88 MAPK8 (1.00) MAPK8MAPK9MAPK10CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
EP-2066319-A1 BENZOTRIAZOLE KINASE MODULATORS F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US disclosed
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 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 (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-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 MAPK8 61/4885MAPK9 65/4885MAPK10 50/4885

“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.