SCHEMBL5078744

SCHEMBL5078744

CC1CN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC(C)N1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.66
KDR P35968 3/20 0.54

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
SCHEMBL146846 0.89 CHEK1 (0.66) CHEK1KDR
SCHEMBL144138 0.89 CHEK1 (0.66) CHEK1KDR
SCHEMBL144982 0.84 CHEK1 (0.76) CHEK1KDR
SCHEMBL6313924 0.83 CHEK1 (0.78) CHEK1KDR
SCHEMBL5078767 0.82 CHEK1 (0.73) CHEK1KDR
SCHEMBL5385085 0.82 CHEK1 (0.72) CHEK1KDR
SCHEMBL5082047 0.82 CHEK1 (0.75) CHEK1KDR
SCHEMBL5385089 0.82 CHEK1 (0.72) CHEK1KDR
SCHEMBL5081972 0.81 CHEK1 (0.69) CHEK1KDR
SCHEMBL7256161 0.81 CHEK1 (0.61) CHEK1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 US disclosed
US-6794393-B1 inhibitors of VEGF; angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases; 1H-indole compounds having a fused nitrogen heterocycle amide in the 2-position MERCK & CO., INC. 2004-09-21 US disclosed
US-6306874-B1 ENZYME INHIBITORS SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, AND THE LIKE IN MAMMALS. MERCK & CO., INC. 2001-10-23 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 (2 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-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885KDR 5/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885KDR 5/4885

“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.