SCHEMBL314869

SCHEMBL314869

Cc1cccc(-c2nnc3n2-c2cc(Br)ccc2NC[C@H]3C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 6/20 0.38
TNKS O95271 4/20 0.38
TACR3 P29371 3/20 0.34
KCNH2 Q12809 2/20 0.33
ERG P11308 1/20 0.33
TGFBR1 P36897 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
CYP2C19 P33261 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL314626 1.00 TNKS2 (0.38) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL314870 1.00 TNKS2 (0.38) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL314041 0.87 TNKS2 (0.40) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL314043 0.87 TNKS2 (0.40) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL314042 0.87 TNKS2 (0.40) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL316181 0.84 BRD4 (0.39) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL12654553 0.83 TNKS2 (0.39) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL314039 0.82 TNKS2 (0.41) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL313824 0.81 TNKS2 (0.40) TNKS2TNKSTACR3KCNH2ERG
SCHEMBL314713 0.81 TNKS2 (0.40) 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 9 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
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

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 534/4885TACR3 726/4885

“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.