SCHEMBL5637043

SCHEMBL5637043

O=C(O)c1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITK Q08881 18/20 0.77
MAP2K4 P45985 2/20 0.53
MAPK1 P28482 1/20 0.53
MAPKAPK3 Q16644 1/20 0.53
MAPK6 Q16659 1/20 0.53

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
SCHEMBL5638533 0.90 ITK (0.81) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL4125482 0.90 ITK (0.81) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL4134469 0.87 ITK (1.00) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL3927404 0.81 ITK (0.73) ITK
SCHEMBL2866791 0.81 MAP2K4 (0.69) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL145584 0.80 ITK (1.00) ITK
SCHEMBL29470244 0.80 ITK (1.00) ITK
SCHEMBL2855850 0.79 MAP2K4 (0.59) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL141981 0.79 ITK (1.00) ITK
SCHEMBL144955 0.79 ITK (0.73) 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 377/4885MAP2K4 356/4885MAPK1 67/4885

“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.