SCHEMBL14712461

SCHEMBL14712461

Cc1cc2c(C(=O)Nc3cnn(Cc4cccc(C#N)c4)c3)n[nH]c2cc1-c1ccc(N)nc1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.82
AURKA O14965 4/20 0.67
SCD O00767 2/20 0.49
KLKB1 P03952 1/20 0.48
TAS2R8 Q9NYW2 1/20 0.44
LRRK2 Q5S007 1/20 0.43
WNT1 P04628 2/20 0.43
DYRK1A Q13627 2/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 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
SCHEMBL16163138 0.91 ITK (0.82) ITKAURKASCDKLKB1DYRK1A
SCHEMBL14699075 0.90 ITK (1.00) ITKAURKASCDKLKB1
SCHEMBL14712459 0.89 ITK (0.80) ITKAURKASCDLRRK2WNT1
SCHEMBL16163079 0.89 ITK (0.68) ITKAURKASCDTAS2R8LRRK2
SCHEMBL14712457 0.88 ITK (0.78) ITKAURKASCD
SCHEMBL16163005 0.86 ITK (0.68) ITKAURKASCDKLKB1TAS2R8
SCHEMBL14699225 0.84 ITK (0.83) ITKAURKASCDTAS2R8LRRK2
SCHEMBL14699387 0.83 ITK (0.81) ITKAURKASCDKLKB1TAS2R8
SCHEMBL14699049 0.82 ITK (0.76) ITKAURKASCDKLKB1TAS2R8
SCHEMBL14699412 0.81 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 5 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
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.