SCHEMBL1809261

SCHEMBL1809261

Clc1ccc(-c2nnc3n2-c2cc(Cl)ccc2NCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.46
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
AKT1 P31749 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TSHR P16473 1/20 0.39
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37

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
SCHEMBL10098573 0.92 BRD4 (0.50) BRD4HPGDHTTDRD2DRD4
SCHEMBL316222 0.75 BRD4 (0.69) BRD4HPGDAKT1CYP17A1CYP3A4
SCHEMBL313644 0.75 BRD4 (0.43) BRD4HPGDDRD2DRD4DRD3
SCHEMBL314704 0.73 BRD4 (0.57) BRD4HPGDAKT1CYP17A1CYP3A4
SCHEMBL314426 0.73 BRD4 (0.48) BRD4TSHRAVPR1A
SCHEMBL314003 0.73 BRD4 (0.43) BRD4KMT2A
SCHEMBL315206 0.70 BRD4 (0.45) BRD4HPGDDRD2DRD4DRD3
SCHEMBL316030 0.68 MAPK10 (0.35) BRD4HTTHSD11B1BRD2BRD3
SCHEMBL316029 0.68 MAPK10 (0.35) BRD4HTTHSD11B1BRD2BRD3
SCHEMBL316031 0.68 MAPK10 (0.35) BRD4HTTHSD11B1BRD2BRD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
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
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 808/4885HPGD 2258/4885HTT 4673/4885

“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.