SCHEMBL14699412

SCHEMBL14699412

N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 1.00
AURKA O14965 4/20 0.82
SCD O00767 3/20 0.61
SCD5 Q86SK9 1/20 0.49
RIPK1 Q13546 1/20 0.48

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
SCHEMBL14699081 0.94 ITK (1.00) ITKAURKASCDSCD5
SCHEMBL16163239 0.93 ITK (0.88) ITKAURKASCDSCD5RIPK1
SCHEMBL14699400 0.92 ITK (1.00) ITKAURKASCD
SCHEMBL16163226 0.92 ITK (0.85) ITKAURKASCD
SCHEMBL14712392 0.90 ITK (1.00) ITKAURKA
SCHEMBL14699446 0.90 ITK (0.82) ITKAURKASCD
SCHEMBL14699225 0.90 ITK (0.83) ITKAURKASCD
SCHEMBL16163043 0.90 ITK (0.82) ITKAURKASCD
SCHEMBL14699075 0.90 ITK (1.00) ITKAURKASCDRIPK1
SCHEMBL16163053 0.90 ITK (1.00) ITKAURKASCD

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 2633/4885SCD 4513/4885

“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.