SCHEMBL5078784

SCHEMBL5078784

CS(=O)(=O)N(Cc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
CDC7 O00311 1/20 0.54
PLK4 O00444 1/20 0.54
MAPK13 O15264 1/20 0.54
PDPK1 O15530 1/20 0.54
DYRK3 O43781 1/20 0.54
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
PRKCG P05129 1/20 0.54
FES P07332 1/20 0.54
ROS1 P08922 1/20 0.54
KIT P10721 1/20 0.54
SRC P12931 1/20 0.54
PHKG2 P15735 1/20 0.54
AKT1 P31749 1/20 0.54
AKT2 P31751 1/20 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
SCHEMBL14012835 0.84 CHEK1 (0.56) CHEK1KDR
SCHEMBL5079326 0.80 CHEK1 (0.54) CHEK1SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL5082036 0.78 KDR (0.61) TSHRCHEK1KDRKDM4ECYP1A2
SCHEMBL5081998 0.78 CHEK1 (0.64) CHEK1KDR
SCHEMBL5141218 0.77 CHEK1 (0.73) CHEK1KDR
SCHEMBL5081972 0.76 CHEK1 (0.69) CHEK1KDR
SCHEMBL144022 0.75 CHEK1 (0.51) CHEK1KDR
SCHEMBL27562200 0.75 CHEK1 (0.53) CHEK1SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL5076160 0.75 CHEK1 (0.59) CHEK1KDR
SCHEMBL148399 0.74 KDR (0.62) 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 16 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 claimed
US-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 US claimed
EP-1226136-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-12-29 EP claimed
EP-1226136-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-31 EP claimed
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 claimed
WO-2001029025-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-04-26 WO claimed
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-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 US disclosed
EP-1226136-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-12-29 EP 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
EP-1226136-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-31 EP 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
WO-2001029025-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-04-26 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 (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 ALDH1A1 3104/4885CYP3A4 4856/4885CYP2C9 4865/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ALDH1A1 3104/4885CYP3A4 4856/4885CYP2C9 4865/4885

“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.