SCHEMBL307696

SCHEMBL307696

N#Cc1ccc(Cn2cncn2)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.64
STS P08842 3/20 0.53
CA2 P00918 1/20 0.48

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
SCHEMBL306242 0.79 CYP19A1 (1.00) CYP19A1STSCA2
SCHEMBL8058695 0.78 CYP19A1 (0.61) CYP19A1STS
SCHEMBL306882 0.78 CYP19A1 (1.00) CYP19A1STSCA2
SCHEMBL307297 0.77 CYP19A1 (0.60) CYP19A1STS
SCHEMBL10172757 0.76 CYP19A1 (1.00) CYP19A1STS
SCHEMBL2285580 0.75 CYP19A1 (1.00) CYP19A1
SCHEMBL8068160 0.75 CYP19A1 (0.61) CYP19A1
SCHEMBL10219570 0.75 CYP19A1 (1.00) CYP19A1STSCA2
SCHEMBL3809589 0.74 ALDH1A1 (0.58) CYP19A1
SCHEMBL17159812 0.74 CYP19A1 (0.80) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846737-B2 Compound STERIX LIMITED (GB) 2014-09-30 US disclosed
US-8846737-B2 Compound STERIX LIMITED (GB) 2014-09-30 US 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-20120238550-A1 COMPOUND UNIVERSITY OF BATH (GB) 2012-09-20 US disclosed
US-20120238550-A1 COMPOUND UNIVERSITY OF BATH (GB) 2012-09-20 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-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 (3 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 1/4885STS 26/4885CA2 502/4885
US-20120238550-A1 COMPOUND OXSR1, OXER1, CBR1 CYP19A1 1282/4885STS 401/4885CA2 1028/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 CYP19A1 605/4885STS 1844/4885CA2 1559/4885

“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.