SCHEMBL4015528

SCHEMBL4015528

CC(=O)Nc1cc(Oc2ccc(F)cc2F)ncc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ HSPB1 P04792 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BRD4 O60885 3/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ MAPK14 Q16539 2/20 0.39
▸ RXRB P28702 1/20 0.39

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
SCHEMBL14015138 0.76 HTT (0.46) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4015429 0.75 HSPB1 (0.49) HSPB1TRPA1MAPK14
SCHEMBL4714318 0.74 HSPB1 (0.49) HSPB1KDM4EBRD4TRPA1MAPK14
SCHEMBL27297629 0.73 HSPB1 (0.56) MAPTHSPB1KDM4ESMN1; SMN2MAPK14
SCHEMBL1797972 0.71 HSPB1 (0.54) MAPTHSPB1KDM4ENPC1RAB9A
SCHEMBL21906327 0.71 HSPB1 (0.51) MAPTHSPB1KDM4EMAPK14RXRB
SCHEMBL5258681 0.71 HSPB1 (0.45) MAPTHSPB1KDM4ETRPA1SCN9A
SCHEMBL1887376 0.70 KMT2A (0.59) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8469819 0.70 HSPB1 (0.59) HSPB1KDM4ETRPA1MAPK14
SCHEMBL30899660 0.70 MRGPRX2 (0.48) MAPTHSPB1KDM4ENPC1RAB9A

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 14 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
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 MAPT 576/4885HSPB1 289/4885KDM4E 4518/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 MAPT 3249/4885HSPB1 2010/4885KDM4E 3589/4885

“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.

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