SCHEMBL1663206

SCHEMBL1663206

Cc1ccc(O)cc1CBr

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
ACHE P22303 1/20 0.43
TYR P14679 4/20 0.38
ESR2 Q92731 5/20 0.37
ESR1 P03372 4/20 0.37
CHRM1 P11229 1/20 0.36
ALOX15 P16050 1/20 0.36
MAOA P21397 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27885749 0.83 CYP3A4 (0.41) CYP3A4TSHRRECQLACHETYR
SCHEMBL6266185 0.81 CYP3A4 (0.47) CYP3A4TSHRRECQLACHETYR
SCHEMBL31305638 0.79 CYP3A4 (0.50) CYP3A4TSHRRECQLACHETYR
SCHEMBL1665310 0.79 SHBG (0.47) CYP3A4TSHRRECQLACHETYR
SCHEMBL2015021 0.79 CYP3A4 (0.50) CYP3A4TSHRRECQLACHETYR
SCHEMBL4187049 0.78 GABRA1 (0.47) CYP3A4TSHRRECQLACHETYR
SCHEMBL7755506 0.77 TSHR (0.44) CYP3A4TSHRRECQLACHETYR
SCHEMBL19735194 0.77 CYP3A4 (0.44) CYP3A4TSHRRECQLACHETYR
SCHEMBL1626608 0.76 EGFR (0.50) CYP3A4TYRESR2ESR1ALOX15
SCHEMBL1050239 0.76 TAAR1 (0.56) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 CYP3A4 794/4885TSHR 2253/4885RECQL 1892/4885

“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.