SCHEMBL3866604

SCHEMBL3866604

COC(=O)N1CCC(C(=O)Nc2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.68
MAPK11 Q15759 1/20 0.51
GSK3B P49841 2/20 0.42
GSK3A P49840 1/20 0.42

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
SCHEMBL13646134 0.88 MAPK14 (0.73) MAPK14MAPK11GSK3B
SCHEMBL13646135 0.88 MAPK14 (0.73) MAPK14MAPK11GSK3B
SCHEMBL3864109 0.88 MAPK14 (0.59) MAPK14MAPK11
SCHEMBL13646146 0.88 MAPK14 (0.77) MAPK14MAPK11
SCHEMBL13646148 0.87 MAPK14 (0.64) MAPK14MAPK11GSK3B
SCHEMBL13646132 0.87 MAPK14 (0.73) MAPK14MAPK11GSK3B
SCHEMBL3876871 0.82 MAPK14 (0.81) MAPK14MAPK11
SCHEMBL3866322 0.81 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL3864479 0.80 MAPK14 (0.70) MAPK14MAPK11
SCHEMBL3862903 0.78 MAPK14 (0.60) MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US disclosed
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US disclosed
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 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-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K7 MAPK14 36/4885MAPK11 39/4885GSK3B 441/4885

“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.