SCHEMBL4842334

SCHEMBL4842334

OCC(O)COc1cc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.38
TRPA1 O75762 1/20 0.34
EIF2AK1 Q9BQI3 1/20 0.34
CYP1A2 P05177 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
AGTR1 P30556 1/20 0.32
LMNA P02545 1/20 0.32
CTSA P10619 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4016140 0.86 MAPK14 (0.38) MAPK14TRPA1
SCHEMBL4016129 0.86 MAPK14 (0.38) MAPK14TRPA1
SCHEMBL13646271 0.84 MAPK14 (0.42) MAPK14TRPA1EIF2AK1CYP1A2KDM4E
SCHEMBL3876655 0.84 MAPK14 (0.42) MAPK14TRPA1EIF2AK1CYP1A2KDM4E
SCHEMBL4016157 0.83 MAPK14 (0.39) MAPK14TRPA1EIF2AK1CYP1A2KDM4E
SCHEMBL4833357 0.83 MAPK14 (0.36) MAPK14TRPA1LPAR2CTSA
SCHEMBL4762099 0.80 MAPK14 (0.39) MAPK14TRPA1EIF2AK1CYP1A2KDM4E
SCHEMBL4015286 0.80 MAPK14 (0.35) MAPK14TRPA1LPAR2LMNACTSA
SCHEMBL4015293 0.80 MAPK14 (0.35) MAPK14TRPA1LPAR2LMNACTSA
SCHEMBL4844459 0.79 MAPK14 (0.37) MAPK14TRPA1

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-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 2797/4885EIF2AK1 822/4885

“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.