SCHEMBL2927643

SCHEMBL2927643

NC(=O)c1[nH]c2cc(N)c(Br)cc2c1S(=O)(=O)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
MAP2 P11137 1/20 0.36
JAK2 O60674 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2931023 0.92 GAA (0.39) GAATP53MAP2JAK2SMN1; SMN2
SCHEMBL13765366 0.90 TP53 (0.39) GAATP53JAK2SMN1; SMN2LMNA
SCHEMBL2929962 0.85 SMN1; SMN2 (0.47) GAATP53SMN1; SMN2LMNAKDM4E
SCHEMBL2930071 0.84 ALDH1A1 (0.41) GAASMN1; SMN2LMNAMAPTKMT2A
SCHEMBL2930507 0.83 MAP2 (0.43) GAATP53MAP2JAK2SMN1; SMN2
SCHEMBL2927462 0.83 TP53 (0.44) GAATP53MAP2SMN1; SMN2LMNA
SCHEMBL2931274 0.82 MAP2 (0.44) GAAMAP2JAK2SMN1; SMN2KDM4E
SCHEMBL2927620 0.80 GAA (0.41) GAAMAP2JAK2SMN1; SMN2KDM4E
SCHEMBL2351105 0.80 MAP2 (0.44) GAAMAP2JAK2SMN1; SMN2KDM4E
SCHEMBL4869049 0.79 MAP2 (0.43) GAAMAP2JAK2SMN1; SMN2KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP claimed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US claimed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP claimed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US claimed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP claimed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US claimed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 WO claimed
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
EP-2213672-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID Nihon Medi-Physics Co., Ltd. (JP) 2010-08-04 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US 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
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
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US 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 (3 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 GAA 3410/4885TP53 523/4885MAP2 732/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 GAA 1689/4885TP53 78/4885MAP2 822/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 GAA 3410/4885TP53 523/4885MAP2 732/4885

“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.