SCHEMBL4840494

SCHEMBL4840494

CCN(CC)CCOc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.39
TRPA1 O75762 3/20 0.37
MAPK11 Q15759 1/20 0.35
HSP90AB1 P08238 1/20 0.34
AGER Q15109 1/20 0.34
RIPK2 O43353 1/20 0.33
ACVR1 Q04771 1/20 0.33
NOD2 Q9HC29 1/20 0.33
BRD4 O60885 1/20 0.33
LYN P07948 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL4841284 0.92 MAPK14 (0.39) MAPK14TRPA1MAPK11SCN5ASCN9A
SCHEMBL4845225 0.89 MAPK14 (0.38) MAPK14TRPA1MAPK11
SCHEMBL4837999 0.89 MAPK14 (0.43) MAPK14TRPA1MAPK11BRD4SCN5A
SCHEMBL4844854 0.85 MAPK14 (0.48) MAPK14TRPA1MAPK11SCN5ASCN9A
SCHEMBL4832933 0.84 MAPK14 (0.39) MAPK14TRPA1MAPK11
SCHEMBL4842974 0.84 MAPK14 (0.41) MAPK14TRPA1MAPK11
SCHEMBL4836011 0.84 ERBB2 (0.40) MAPK14TRPA1
SCHEMBL4839249 0.83 MAPK14 (0.42) MAPK14TRPA1MAPK11SCN5ASCN9A
SCHEMBL4842056 0.83 EGFR (0.40) MAPK14
SCHEMBL14019034 0.83 MAPK14 (0.37) MAPK14TRPA1MAPK11

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-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US claimed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 MAPK14 70/4885TRPA1 2797/4885MAPK11 75/4885

“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.