SCHEMBL314014

SCHEMBL314014

COc1cc2c(cc1Cl)NCC(C)c1nnc(-c3cccc(C)n3)n1-2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 6/20 0.38
TNKS O95271 4/20 0.38
APLNR P35414 9/20 0.37
GHSR Q92847 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
TACR3 P29371 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
SCHEMBL314015 1.00 TNKS2 (0.38) TNKS2TNKSAPLNRGHSRALDH1A1
SCHEMBL314016 1.00 TNKS2 (0.38) TNKS2TNKSAPLNRGHSRALDH1A1
SCHEMBL314039 0.87 TNKS2 (0.41) TNKS2TNKSTACR3
SCHEMBL314996 0.84 TNKS2 (0.37) TNKS2TNKSAPLNRTACR3
SCHEMBL314998 0.84 TNKS2 (0.37) TNKS2TNKSAPLNRTACR3
SCHEMBL314997 0.84 TNKS2 (0.37) TNKS2TNKSAPLNRTACR3
SCHEMBL314713 0.84 TNKS2 (0.40) TNKS2TNKSTACR3
SCHEMBL314043 0.84 TNKS2 (0.40) TNKS2TNKSTACR3
SCHEMBL314133 0.84 TNKS2 (0.40) TNKS2TNKSTACR3
SCHEMBL314365 0.84 TNKS2 (0.40) TNKS2TNKSTACR3

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 TNKS2 630/4885TNKS 534/4885APLNR 2076/4885

“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.