SCHEMBL5638533

SCHEMBL5638533

O=C(O)c1ccc2c(-c3cc4ccccc4[nH]3)n[nH]c2c1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 15/20 0.81
CHEK1 O14757 2/20 0.59
FGFR1 P11362 1/20 0.55
CDK4 P11802 1/20 0.55
CCNA2 P20248 1/20 0.55
CCND1 P24385 1/20 0.55
CDK2 P24941 1/20 0.55
CCND3 P30281 1/20 0.55
KDR P35968 1/20 0.55
MAP2K4 P45985 2/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 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
SCHEMBL5637043 0.90 ITK (0.77) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL4134469 0.90 ITK (1.00) ITKMAP2K4CASP3SENP8SENP7
SCHEMBL4125482 0.87 ITK (0.81) ITKCHEK1MAP2K4MAPK1MAPKAPK3
SCHEMBL144764 0.81 MAP2K4 (0.65) ITKCHEK1MAP2K4MAPK1MAPK6
SCHEMBL29470244 0.80 ITK (1.00) ITKCHEK1
SCHEMBL145584 0.80 ITK (1.00) ITKCHEK1
SCHEMBL141689 0.79 ITK (0.73) ITKCHEK1FGFR1CDK4CCNA2
SCHEMBL145864 0.79 ITK (1.00) ITKCHEK1FGFR1CDK4CCNA2
SCHEMBL142590 0.79 ITK (0.73) ITKCHEK1FGFR1CDK4CCNA2
SCHEMBL5637262 0.79 ITK (0.73) ITKCHEK1FGFR1CDK4CCNA2

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.