SCHEMBL14699151

SCHEMBL14699151

COc1ccc(Cn2cc(NC(=O)c3n[nH]c4ccccc34)cn2)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 0.79
FLT3 P36888 5/20 0.68
CDK2 P24941 2/20 0.68
AURKA O14965 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAP4K4 O95819 1/20 0.52
NTRK1 P04629 1/20 0.52
CCNA2 P20248 1/20 0.52
CCNA1 P78396 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL14699272 0.91 ITK (0.74) ITKFLT3CDK2AURKACCNA2
SCHEMBL14699210 0.90 ITK (0.75) ITKFLT3CDK2AURKAALDH1A1
SCHEMBL14699366 0.89 ITK (0.84) ITKFLT3CDK2AURKAMAP4K4
SCHEMBL14699430 0.89 ITK (1.00) ITKFLT3CDK2AURKAMAP4K4
SCHEMBL14699139 0.88 ITK (0.86) ITKFLT3CDK2AURKAMAP4K4
SCHEMBL14699377 0.88 ITK (0.75) ITKFLT3CDK2AURKAMAP4K4
SCHEMBL14699269 0.87 ITK (0.81) ITKFLT3CDK2AURKAMAP4K4
SCHEMBL14699240 0.86 ITK (0.84) ITKFLT3CDK2AURKAMAP4K4
SCHEMBL14699252 0.86 ITK (0.86) ITKFLT3CDK2AURKAMAP4K4
SCHEMBL14699077 0.85 ITK (0.78) ITKFLT3CDK2AURKAMAP4K4

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 1578/4885FLT3 119/4885CDK2 847/4885

“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.