SCHEMBL14712604

SCHEMBL14712604

O=C(Nc1cnn(CC2CC2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.66
AURKA O14965 2/20 0.66
GSK3B P49841 4/20 0.54
DYRK1A Q13627 4/20 0.54
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
ROCK2 O75116 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46

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
SCHEMBL14712494 0.97 ITK (0.64) ITKAURKAGSK3BDYRK1APRKACA
SCHEMBL14712421 0.96 ITK (0.63) ITKAURKAGSK3BDYRK1APRKACA
SCHEMBL14712420 0.94 ITK (0.61) ITKAURKAGSK3BDYRK1APRKACA
SCHEMBL14712415 0.94 ITK (0.61) ITKAURKAGSK3BDYRK1ACLK2
SCHEMBL14712416 0.93 ITK (0.64) ITKAURKAGSK3BDYRK1APRKACA
SCHEMBL14712412 0.91 ITK (0.60) ITKAURKAGSK3BDYRK1APRKACA
SCHEMBL14712491 0.91 ITK (0.60) ITKAURKAGSK3BDYRK1APRKACA
SCHEMBL14712405 0.90 ITK (0.58) ITKAURKAGSK3BDYRK1APRKACA
SCHEMBL14712584 0.88 ITK (0.62) ITKAURKAGSK3BDYRK1APRKACA
SCHEMBL14712409 0.88 ITK (0.71) ITKAURKAGSK3BDYRK1APRKACA

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 2633/4885GSK3B 645/4885

“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.