SCHEMBL316222

SCHEMBL316222

c1ccc(-c2nnc3n2-c2ccccc2NCC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.69
AKT1 P31749 7/20 0.51
TSHR P16473 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
AVPR2 P30518 1/20 0.37
AVPR1A P37288 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 0.84 BRD4 (0.50) BRD4AKT1TSHRCYP17A1CYP3A4
SCHEMBL314704 0.82 BRD4 (0.57) BRD4AKT1TSHRCYP17A1CYP3A4
SCHEMBL7338366 0.82 BRD4 (1.00) BRD4CYP11B1CYP11B2HPGD
SCHEMBL12841365 0.81 TSHR (0.62) AKT1TSHRCYP17A1CYP3A4CYP19A1
SCHEMBL314419 0.79 BRD4 (0.57) BRD4AKT1TSHRCYP17A1CYP3A4
SCHEMBL1809261 0.75 BRD4 (0.46) BRD4AKT1TSHRCYP17A1CYP3A4
SCHEMBL314814 0.75 BRD4 (0.46) BRD4TSHRCYP17A1CYP3A4CYP19A1
SCHEMBL3351341 0.74 AKT1 (0.56) BRD4AKT1TSHRSMN1; SMN2
SCHEMBL13729858 0.74 BRD4 (0.69) BRD4CYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL313799 0.74 TSHR (0.46) BRD4AKT1TSHRCYP17A1CYP3A4

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 11 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-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US 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
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 BRD4 808/4885AKT1 457/4885TSHR 244/4885

“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.