SCHEMBL5097303

SCHEMBL5097303

CCOc1ccccc1-c1n[nH]c2nc(Oc3ccc(F)cc3F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.48
TRPA1 O75762 2/20 0.41
MAPK11 Q15759 1/20 0.40
PDE10A Q9Y233 3/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL5107297 0.89 MAPK14 (0.43) MAPK14TRPA1MAPK11PIM1PIM2
SCHEMBL4017606 0.85 MAPK14 (0.48) MAPK14TRPA1MAP4K4PIM1PIM2
SCHEMBL4017462 0.76 MAPK14 (0.40) MAPK14TRPA1MAPK11MAP4K4
SCHEMBL14814238 0.76 MAP4K4 (0.53) MAPK14TRPA1MAPK11MAP4K4
SCHEMBL3972688 0.74 MAPK14 (0.43) MAPK14MAPK11
SCHEMBL5100000 0.73 MAPK14 (0.61) MAPK14TRPA1MAPK11PIM1
SCHEMBL14018970 0.73 MAPK14 (0.44) MAPK14TRPA1MAPK11PDE10A
SCHEMBL4013145 0.73 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL13764813 0.73 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL4836915 0.73 MAPK14 (0.44) MAPK14TRPA1MAPK11PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 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-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 MAPK14 48/4885TRPA1 4334/4885MAPK11 58/4885

“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.