SCHEMBL13646271

SCHEMBL13646271

OC[C@H](O)COc1cc(Oc2ccc(F)cc2F)cc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.42
LPAR2 Q9HBW0 2/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
EIF2AK1 Q9BQI3 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 3/20 0.33
KDM4E B2RXH2 2/20 0.33
AGTR1 P30556 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
ALK Q9UM73 1/20 0.32
CYP2C19 P33261 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
SCHEMBL3876655 1.00 MAPK14 (0.42) MAPK14LPAR2HTR1AHTR7EIF2AK1
SCHEMBL4762099 0.95 MAPK14 (0.39) MAPK14LPAR2HTR1AHTR7EIF2AK1
SCHEMBL3864520 0.85 SCN9A (0.34) MAPK14LPAR2TRPA1LMNA
SCHEMBL13646272 0.85 SCN9A (0.34) MAPK14LPAR2TRPA1LMNA
SCHEMBL4842334 0.84 MAPK14 (0.38) MAPK14LPAR2EIF2AK1TRPA1CYP1A2
SCHEMBL4762102 0.84
SCHEMBL13646299 0.82 MAPK14 (0.44) MAPK14LPAR2TRPA1CYP1A2KDM4E
SCHEMBL3864575 0.82 MAPK14 (0.44) MAPK14LPAR2TRPA1CYP1A2KDM4E
SCHEMBL4016129 0.80 MAPK14 (0.38) MAPK14TRPA1
SCHEMBL4016140 0.80 MAPK14 (0.38) 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 5 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-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
WO-2007023110-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO 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 36/4885LPAR2 790/4885HTR1A 2761/4885

“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.