SCHEMBL5637586

SCHEMBL5637586

[N]c1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITK Q08881 18/20 0.73
CHEK1 O14757 1/20 0.51
FGFR1 P11362 1/20 0.51

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
SCHEMBL145584 0.85 ITK (1.00) ITKCHEK1
SCHEMBL29470244 0.85 ITK (1.00) ITKCHEK1
SCHEMBL141981 0.83 ITK (1.00) ITK
SCHEMBL144874 0.83 ITK (1.00) ITK
SCHEMBL144955 0.83 ITK (0.73) ITKCHEK1FGFR1
SCHEMBL3927404 0.83 ITK (0.73) ITKCHEK1FGFR1
SCHEMBL18487449 0.80 ITK (0.68) ITKCHEK1FGFR1
SCHEMBL143141 0.79 ITK (0.74) ITKCHEK1FGFR1
SCHEMBL3921587 0.79 ITK (0.68) ITKFGFR1
SCHEMBL5637043 0.79 ITK (0.77) ITK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 US disclosed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ITK 377/4885CHEK1 499/4885FGFR1 168/4885

“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.