SCHEMBL2929461

SCHEMBL2929461

CN(C)CCC1CCN(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 11/20 0.46
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FPR2 P25090 2/20 0.38
PROKR1 Q8TCW9 2/20 0.38
SIRT1 Q96EB6 2/20 0.37
EPHX2 P34913 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL4868049 0.91 FPR2 (0.38) MAP2KDM4ETSHRHSD17B10FPR2
SCHEMBL3611987 0.84 MAP2 (0.47) MAP2KDM4ETSHRHSD17B10SIRT1
SCHEMBL4023407 0.84 MAP2 (0.43) MAP2KDM4ETSHRHSD17B10SIRT1
SCHEMBL2928734 0.81 MAP2 (0.51) MAP2TSHRSIRT1
SCHEMBL2927238 0.81 MAP2 (0.54) MAP2TSHR
SCHEMBL2924539 0.81 MAP2 (0.53) MAP2TSHR
SCHEMBL3617971 0.80 MAP2 (0.46) MAP2KDM4ETSHRHSD17B10SIRT1
SCHEMBL2923342 0.80 PTGS2 (0.49) MAP2
SCHEMBL2923583 0.79 ALDH1A1 (0.51) MAP2SIRT1
SCHEMBL2929668 0.79 MAP2 (0.44) MAP2KDM4ESIRT1

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 15 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 claimed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US claimed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US claimed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US 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-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 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
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 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 (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 MAP2 732/4885KDM4E 1065/4885TSHR 335/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 MAP2 822/4885KDM4E 2180/4885TSHR 3960/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MAP2 732/4885KDM4E 1065/4885TSHR 335/4885

“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.