SCHEMBL3835853

SCHEMBL3835853

CC(C)Oc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.70
MAPK11 Q15759 1/20 0.60
TRPA1 O75762 2/20 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
SCHEMBL3959448 0.89 MAPK14 (0.65) MAPK14MAPK11TRPA1
SCHEMBL3965119 0.87 MAPK14 (0.67) MAPK14MAPK11TRPA1
SCHEMBL3964339 0.87 MAPK14 (0.67) MAPK14MAPK11TRPA1
SCHEMBL5093596 0.84 MAPK14 (0.64) MAPK14MAPK11TRPA1
SCHEMBL4014028 0.84 MAPK14 (0.72) MAPK14MAPK11TRPA1
SCHEMBL14566802 0.82 MAPK14 (0.70) MAPK14MAPK11TRPA1
SCHEMBL4015558 0.82 MAPK14 (0.70) MAPK14MAPK11TRPA1
SCHEMBL3820480 0.82 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL4013948 0.81 MAPK14 (0.68) MAPK14MAPK11TRPA1
SCHEMBL3864408 0.81 MAPK14 (0.68) MAPK14MAPK11TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091952-A1 PYRAZOLO Ý3, 4 -D¨PYRIMIDINE P38 MAP KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-08-26 EP disclosed
US-7563800-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-21 US disclosed
US-7563800-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-21 US disclosed
US-7563800-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-21 US disclosed
WO-2008074676-A1 PYRAZOLO [3, 4 -D] PYRIMIDINE P38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
WO-2008074676-A1 PYRAZOLO [3, 4 -D] PYRIMIDINE P38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-20080146590-A1 P38 map kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2008-06-19 US disclosed
US-20080146590-A1 P38 map kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2008-06-19 US disclosed
US-20080146590-A1 P38 map kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2008-06-19 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-20080146590-A1 P38 map kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K7 MAPK14 33/4885MAPK11 39/4885TRPA1 4626/4885

“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.