SCHEMBL316181

SCHEMBL316181

Cc1cccc(-c2nnc3n2-c2cc(S(C)(=O)=O)ccc2NCC3C)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
TNKS2 Q9H2K2 8/20 0.38
TNKS O95271 6/20 0.38
PTGS2 P35354 1/20 0.37
TGFBR1 P36897 7/20 0.37
MAPK14 Q16539 5/20 0.37
KDR P35968 4/20 0.37
RIPK2 O43353 1/20 0.37
THRB P10828 1/20 0.35
TACR3 P29371 2/20 0.34
ERG P11308 1/20 0.33
KCNH2 Q12809 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
SCHEMBL314870 0.84 TNKS2 (0.38) TNKS2TNKSTGFBR1TACR3ERG
SCHEMBL314869 0.84 TNKS2 (0.38) TNKS2TNKSTGFBR1TACR3ERG
SCHEMBL314041 0.84 TNKS2 (0.40) BRD4TNKS2TNKSTGFBR1MAPK14
SCHEMBL314042 0.84 TNKS2 (0.40) BRD4TNKS2TNKSTGFBR1MAPK14
SCHEMBL314043 0.84 TNKS2 (0.40) BRD4TNKS2TNKSTGFBR1MAPK14
SCHEMBL314626 0.84 TNKS2 (0.38) TNKS2TNKSTGFBR1TACR3ERG
SCHEMBL313824 0.80 TNKS2 (0.40) TNKS2TNKSTGFBR1MAPK14THRB
SCHEMBL314758 0.80 TNKS2 (0.40) TNKS2TNKSTGFBR1MAPK14THRB
SCHEMBL314350 0.80 TNKS2 (0.40) TNKS2TNKSTGFBR1MAPK14THRB
SCHEMBL12654553 0.79 TNKS2 (0.39) TNKS2TNKSTGFBR1TACR3ERG

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-1966211-B1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US claimed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
EP-1966211-B1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
EP-1966211-B1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
WO-2007079820-A1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-07-19 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 (1 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 BRD4 808/4885TNKS2 630/4885TNKS 534/4885

“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.