SCHEMBL14712416

SCHEMBL14712416

O=C(Nc1cnn(CC2CNC2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.64
AURKA O14965 2/20 0.64
PRKACA P17612 1/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
GSK3B P49841 4/20 0.51
DYRK1A Q13627 4/20 0.51
ROCK2 O75116 1/20 0.45

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
SCHEMBL14712604 0.93 ITK (0.66) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712494 0.92 ITK (0.64) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712421 0.91 ITK (0.63) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712420 0.89 ITK (0.61) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712415 0.89 ITK (0.61) ITKAURKAGSK3BDYRK1A
SCHEMBL14712412 0.88 ITK (0.60) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712491 0.88 ITK (0.60) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712409 0.87 ITK (0.71) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712405 0.86 ITK (0.58) ITKAURKAPRKACAPRKACGPRKACB
SCHEMBL14712507 0.86 ITK (0.70) ITKAURKAPRKACAPRKACGPRKACB

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 2633/4885PRKACA 1537/4885

“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.