SCHEMBL4013944

SCHEMBL4013944

COc1ccccc1-c1n[nH]c2cc(Oc3ccc(F)cc3F)cnc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.46
TRPA1 O75762 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPK14 Q16539 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
NTRK1 P04629 3/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL6455968 0.88 LRRK2 (0.38) MAP4K1TRPA1L3MBTL1MAPK14MEN1
SCHEMBL4013197 0.83 MAP4K1 (0.43) MAP4K1TRPA1L3MBTL1MAPK14NTRK1
SCHEMBL3968961 0.77 BRD4 (0.47) TRPA1MAPK14LPAR2
SCHEMBL5100395 0.77 MAPK14 (0.43) TRPA1MAPK14
SCHEMBL4068311 0.74 ITK (0.46) MAP4K1MAPK14MEN1KMT2AALDH1A1
SCHEMBL3864185 0.74 MAPK14 (0.58) TRPA1MAPK14MAPK1
SCHEMBL4017730 0.72 MAPK14 (0.39) TRPA1MAPK14
SCHEMBL4017691 0.72 NPC1 (0.41) MAP4K1MAPK14MEN1KMT2AALDH1A1
SCHEMBL4060839 0.70 ITK (0.48) MAP4K1TRPA1L3MBTL1MAPK14MEN1
SCHEMBL4018791 0.69 MAPK14 (0.41) TRPA1MAPK14ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 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-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
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US disclosed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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 (2 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAP4K1 11/4885TRPA1 4812/4885L3MBTL1 727/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 MAP4K1 30/4885TRPA1 4334/4885L3MBTL1 1743/4885

“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.