SCHEMBL314996

SCHEMBL314996

COc1ccc2c(c1)NCC(C)c1nnc(-c3cccc(C)n3)n1-2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 6/20 0.37
TNKS O95271 4/20 0.37
TGFBR1 P36897 4/20 0.35
APLNR P35414 1/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK1 P28482 2/20 0.34
PTPN1 P18031 1/20 0.33
TACR3 P29371 2/20 0.33
THRB P10828 1/20 0.33
ERG P11308 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL314998 1.00 TNKS2 (0.37) TNKS2TNKSTGFBR1APLNRMAPK14
SCHEMBL314997 1.00 TNKS2 (0.37) TNKS2TNKSTGFBR1APLNRMAPK14
SCHEMBL314321 0.91 TACR3 (0.38) APLNRTACR3
SCHEMBL12654553 0.87 TNKS2 (0.39) TNKS2TNKSTGFBR1APLNRTACR3
SCHEMBL314485 0.87 MAPT (0.40) TNKS2TNKSAPLNRGLAL3MBTL1
SCHEMBL314484 0.87 MAPT (0.40) TNKS2TNKSAPLNRGLAL3MBTL1
SCHEMBL314483 0.87 MAPT (0.40) TNKS2TNKSAPLNRGLAL3MBTL1
SCHEMBL313824 0.85 TNKS2 (0.40) TNKS2TNKSTGFBR1MAPK14TACR3
SCHEMBL314758 0.85 TNKS2 (0.40) TNKS2TNKSTGFBR1MAPK14TACR3
SCHEMBL314133 0.85 TNKS2 (0.40) 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 17 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
EP-1966211-A1 TRIAZOLE DERIVATIVES Merck Patent GmbH (DE) 2008-09-10 EP disclosed
WO-2007079820-A1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-07-19 WO 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 TNKS2 630/4885TNKS 534/4885TGFBR1 1/4885

“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.