SCHEMBL14699366

SCHEMBL14699366

Cc1ccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)cc1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 0.84
AURKA O14965 6/20 0.67
FLT3 P36888 4/20 0.66
MAP4K1 Q92918 1/20 0.56
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CCNA1 P78396 1/20 0.55
MAP4K4 O95819 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.54

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
SCHEMBL14699430 0.91 ITK (1.00) ITKAURKAFLT3CCNA2CDK2
SCHEMBL14699139 0.91 ITK (0.86) ITKAURKAFLT3CCNA2CDK2
SCHEMBL14699269 0.90 ITK (0.81) ITKAURKAFLT3CCNA2CDK2
SCHEMBL14699151 0.89 ITK (0.79) ITKAURKAFLT3CCNA2CDK2
SCHEMBL14699240 0.89 ITK (0.84) ITKAURKAFLT3CCNA2CDK2
SCHEMBL14699186 0.89 ITK (0.79) ITKAURKAFLT3MAP4K1
SCHEMBL14699252 0.88 ITK (0.86) ITKAURKAFLT3CCNA2CDK2
SCHEMBL14699077 0.88 ITK (0.78) ITKAURKAFLT3CCNA2CDK2
SCHEMBL14699047 0.87 ITK (0.79) ITKAURKAFLT3CCNA2CDK2
SCHEMBL14699260 0.87 ITK (0.79) ITKAURKAFLT3MAP4K4NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742040-B1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
EP-2742040-B1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-10-16 US disclosed
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-10-16 US disclosed
EP-2742040-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-18 EP disclosed
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 WO disclosed
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 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-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CYP3A43, INSR, CYP2C19 ITK 1578/4885AURKA 2633/4885FLT3 119/4885

“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.