SCHEMBL9977809

SCHEMBL9977809

FC(F)(F)c1cccc(-c2ccnn2C2CCCCO2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 6/20 0.47
CYP4A11 Q02928 6/20 0.47
ATR Q13535 11/20 0.42
IDH1 O75874 1/20 0.39
IDH2 P48735 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL26986513 0.81 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL19732434 0.81 ATR (0.54) CYP4F2CYP4A11ATR
SCHEMBL26986688 0.79 CYP4F2 (0.46) CYP4F2CYP4A11ATR
SCHEMBL22954588 0.79 CYP4F2 (0.66) CYP4F2CYP4A11ATR
SCHEMBL13734367 0.77 CYP4F2 (0.53) CYP4F2CYP4A11ATR
SCHEMBL26986543 0.77 CYP4F2 (0.45) CYP4F2CYP4A11ATR
SCHEMBL9977747 0.76 CYP4F2 (0.52) CYP4F2CYP4A11ATR
SCHEMBL9977842 0.76 CYP4F2 (0.54) CYP4F2CYP4A11ATR
SCHEMBL16589766 0.76 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL17429281 0.75 ATR (0.36) CYP4F2CYP4A11ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
EP-2653469-A1 PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-10-23 EP disclosed
WO-2012081692-A1 PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-06-21 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 (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-20130281465-A1 PYRAZOLE DERIVATIVE HCRTR1, HCRTR2, NPY4R CYP4F2 2278/4885CYP4A11 1266/4885ATR 4513/4885

“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.