SCHEMBL4063276

SCHEMBL4063276

Cc1ccccc1-c1n[nH]c2cc(Oc3ccccc3F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.45
MAP2K4 P45985 1/20 0.43
MAPK14 Q16539 4/20 0.41
ITK Q08881 2/20 0.41
PIM1 P11309 5/20 0.38
LRRK2 Q5S007 1/20 0.38
TRPA1 O75762 1/20 0.37
KDR P35968 2/20 0.37
CHEK1 O14757 1/20 0.37
FGFR1 P11362 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4057918 0.89 ITK (0.47) MAP4K1MAP2K4MAPK14ITKPIM1
SCHEMBL4068311 0.88 ITK (0.46) MAP4K1MAP2K4MAPK14ITKKDR
SCHEMBL4061642 0.86 MAP2K4 (0.43) MAP2K4MAPK14ITKPIM1LRRK2
SCHEMBL4065232 0.85 MAP2K4 (0.48) MAP2K4MAPK14ITKLRRK2TRPA1
SCHEMBL4063919 0.84 MAP2K4 (0.50) MAP2K4MAPK14ITKLRRK2TRPA1
SCHEMBL4060966 0.84 MAP2K4 (0.41) MAP2K4ITKPIM1LRRK2TRPA1
SCHEMBL4059673 0.84 MAP2K4 (0.62) MAP4K1MAP2K4MAPK14ITKLRRK2
SCHEMBL4060839 0.83 ITK (0.48) MAP4K1MAP2K4MAPK14ITKPIM1
SCHEMBL4061854 0.82 MAP2K4 (0.48) MAP2K4MAPK14ITKLRRK2KDR
SCHEMBL4059067 0.82 MAP2K4 (0.50) MAP2K4MAPK14ITKLRRK2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495015-B2 Indazole derivatives and methods for using the same ROCHE PALO ALTO LLC (US) 2009-02-24 US claimed
EP-1747202-A1 INDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F.HOFFMANN-LA ROCHE AG (CH) 2007-01-31 EP claimed
US-20050215595-A1 Indazole derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-29 US claimed
WO-2005085206-A1 INDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO claimed
US-7495015-B2 Indazole derivatives and methods for using the same ROCHE PALO ALTO LLC (US) 2009-02-24 US disclosed
US-7495015-B2 Indazole derivatives and methods for using the same ROCHE PALO ALTO LLC (US) 2009-02-24 US disclosed
US-7495015-B2 Indazole derivatives and methods for using the same ROCHE PALO ALTO LLC (US) 2009-02-24 US disclosed
US-20050215595-A1 Indazole derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-29 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-20050215595-A1 Indazole derivatives and methods for using the same MAPK1, MAP3K1, MAP3K7 MAP4K1 30/4885MAP2K4 73/4885MAPK14 39/4885

“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.