SCHEMBL2929402

SCHEMBL2929402

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCNC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
GLA P06280 1/20 0.41
PKM P14618 2/20 0.40
BAZ2B Q9UIF8 2/20 0.37
RAB9A P51151 1/20 0.37
TDO2 P48775 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
PRNP P04156 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 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
SCHEMBL2927335 0.92 GLA (0.53) GFERGLAPKMBAZ2BTDO2
SCHEMBL3606479 0.85 MAPK1 (0.43) BAZ2BRXFP1PRNPCYP1A2CYP2C9
SCHEMBL2924397 0.85 ALDH1A1 (0.41) BAZ2BRXFP1PRNPCYP1A2CYP2C9
SCHEMBL3609170 0.84 MAPK1 (0.45) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL3619932 0.83 GFER (0.38) GFERGLAPKMTDO2RXFP1
SCHEMBL3606849 0.83 RXFP1 (0.40) PKMBAZ2BRXFP1PRNPCYP1A2
SCHEMBL2924453 0.82 ALDH1A1 (0.50) GLAALDH1A1MAPT
SCHEMBL2930507 0.82 MAP2 (0.43) RAB9ARXFP1NPSR1ALDH1A1MAPT
SCHEMBL3609347 0.81 SIRT1 (0.40) BAZ2BRXFP1PRNPCYP1A2CYP2C9
SCHEMBL2930135 0.81 RXFP1 (0.42) BAZ2BRXFP1PRNPCYP1A2CYP2C9

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 19 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
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
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
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 GFER 1874/4885GLA 4648/4885PKM 1970/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 GFER 4816/4885GLA 3711/4885PKM 570/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 GFER 1874/4885GLA 4648/4885PKM 1970/4885

“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.