SCHEMBL2924748

SCHEMBL2924748

CCOC(=O)c1c(S(=O)(=O)N2CCOC(COc3ccccc3)C2)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.45
ADAM17 P78536 2/20 0.40
EPHA2 P29317 2/20 0.39
KDR P35968 2/20 0.39
EPHB4 P54760 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DRD4 P21917 2/20 0.37
ELANE P08246 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 2/20 0.36
PDK1 Q15118 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.36
HTR6 P50406 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4318896 0.91 ACLY (0.51) ACLYADAM17EPHA2KDREPHB4
SCHEMBL2923778 0.91 ACLY (0.45) ACLYADAM17EPHA2KDREPHB4
SCHEMBL4014930 0.91 ACLY (0.51) ACLYADAM17EPHA2KDREPHB4
SCHEMBL2931552 0.91 ACLY (0.49) ACLYADAM17EPHA2KDREPHB4
SCHEMBL16675380 0.86 ACLY (0.45) ACLYEPHA2KDREPHB4DRD4
SCHEMBL15295148 0.86 ACLY (0.45) ACLYEPHA2KDREPHB4DRD4
SCHEMBL16675398 0.84 ACLY (0.46) ACLYADAM17EPHA2KDREPHB4
SCHEMBL15295224 0.84 ACLY (0.46) ACLYADAM17EPHA2KDREPHB4
SCHEMBL2928016 0.84 KMT2A (0.47) ELANEALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL15287441 0.83 ACLY (0.44) ACLYADAM17EPHA2KDREPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 ACLY 3558/4885ADAM17 2387/4885EPHA2 456/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 ACLY 3558/4885ADAM17 2387/4885EPHA2 456/4885

“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.