SCHEMBL306454

SCHEMBL306454

CC(C)(C#N)c1cc(Cn2cncn2)cc(-c2cccc(C(=O)c3ccccc3)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.76
UGT1A4 P22310 1/20 0.60
PDE4D Q08499 1/20 0.60
ESR1 P03372 1/20 0.46
STS P08842 1/20 0.44

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
SCHEMBL307264 0.87 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1
SCHEMBL305285 0.82 CYP19A1 (0.78) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL307262 0.82 CYP19A1 (0.78) CYP19A1UGT1A4PDE4DESR1
SCHEMBL307029 0.82 CYP19A1 (0.73) CYP19A1STS
SCHEMBL307040 0.81 CYP19A1 (0.78) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL10172769 0.80 CYP19A1 (0.74) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL305650 0.80 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL354747 0.80 CYP19A1 (0.85) CYP19A1UGT1A4PDE4DESR1STS
SCHEMBL8072843 0.78 CYP19A1 (0.77) CYP19A1UGT1A4PDE4DESR1STS
Anastrozole SCHEMBL177942 0.77 CYP19A1 (1.00) CYP19A1UGT1A4PDE4DESR1STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
EP-1966166-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS Sterix Limited (GB) 2008-09-10 EP disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 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 (2 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-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS CYP19A1, CYP21A2, CBR1 CYP19A1 1/4885UGT1A4 1097/4885PDE4D 3162/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 CYP19A1 605/4885UGT1A4 2132/4885PDE4D 3657/4885

“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.