SCHEMBL314713

SCHEMBL314713

Cc1cccc(-c2nnc3n2-c2ccc(Cl)cc2NCC3C)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 6/20 0.40
TNKS O95271 4/20 0.40
AVPR1A P37288 5/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
BRD4 O60885 2/20 0.34
TACR3 P29371 2/20 0.34
AVPR2 P30518 1/20 0.34
OXTR P30559 1/20 0.34
KCNH2 Q12809 2/20 0.33
ERG P11308 1/20 0.33
TGFBR1 P36897 1/20 0.32
P2RX7 Q99572 2/20 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
SCHEMBL314365 1.00 TNKS2 (0.40) TNKS2TNKSAVPR1AGABRG2GABRB3
SCHEMBL314133 1.00 TNKS2 (0.40) TNKS2TNKSAVPR1AGABRG2GABRB3
SCHEMBL314041 0.92 TNKS2 (0.40) TNKS2TNKSGABRG2GABRB3GABRA5
SCHEMBL314043 0.92 TNKS2 (0.40) TNKS2TNKSGABRG2GABRB3GABRA5
SCHEMBL314042 0.92 TNKS2 (0.40) TNKS2TNKSGABRG2GABRB3GABRA5
SCHEMBL12654553 0.89 TNKS2 (0.39) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL314350 0.87 TNKS2 (0.40) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL314758 0.87 TNKS2 (0.40) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL313824 0.87 TNKS2 (0.40) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL314039 0.86 TNKS2 (0.41) TNKS2TNKSTACR3KCNH2ERG

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 534/4885AVPR1A 3270/4885

“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.