SCHEMBL16163259

SCHEMBL16163259

Cn1nccc1-c1ccc2c(C(=O)Nc3cnn(Cc4cccc(C#N)c4)c3)n[nH]c2c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITK Q08881 15/20 0.79
AURKA O14965 4/20 0.74
SCD O00767 2/20 0.53
TAS2R8 Q9NYW2 1/20 0.46
CREBBP Q92793 1/20 0.45
HAT1 O14929 1/20 0.43
EP300 Q09472 1/20 0.43

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
SCHEMBL14712403 0.89 ITK (0.62) ITKAURKASCD
SCHEMBL14699446 0.88 ITK (0.82) ITKAURKASCDHAT1EP300
SCHEMBL14699081 0.88 ITK (1.00) ITKAURKASCD
SCHEMBL14699412 0.88 ITK (1.00) ITKAURKASCD
SCHEMBL16163031 0.87 ITK (0.78) ITKAURKASCDCREBBPHAT1
SCHEMBL16163182 0.87 ITK (0.72) ITKAURKASCDTAS2R8CREBBP
SCHEMBL14699400 0.87 ITK (1.00) ITKAURKASCD
SCHEMBL16163226 0.87 ITK (0.85) ITKAURKASCDTAS2R8
SCHEMBL16163220 0.86 ITK (0.79) ITKAURKASCDTAS2R8
SCHEMBL14699225 0.86 ITK (0.83) ITKAURKASCDTAS2R8

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 4 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

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.