SCHEMBL9977867

SCHEMBL9977867

FC(F)(F)c1ccc(-c2ccn[nH]2)nc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CYP4F2 P78329 16/20 0.47
CYP4A11 Q02928 16/20 0.47
KDM4E B2RXH2 1/20 0.43

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
Hydrochloric Acid SCHEMBL15327040 0.98 LTA4H (0.48) LTA4HNPSR1CYP4F2CYP4A11KDM4E
SCHEMBL22968353 0.79 CYP4F2 (0.75) CYP4F2CYP4A11
SCHEMBL29595709 0.77 NPSR1 (0.53) NPSR1KDM4E
SCHEMBL811160 0.77 NPSR1 (0.53) NPSR1KDM4E
SCHEMBL9977744 0.77 CYP4F2 (0.61) LTA4HCYP4F2CYP4A11
SCHEMBL15338851 0.76 JMJD6 (0.47) CYP4F2CYP4A11
SCHEMBL22968112 0.75 CYP4F2 (0.66) CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL15327060 0.75 CYP4F2 (0.60) LTA4HCYP4F2CYP4A11
Hydrochloric Acid SCHEMBL15327011 0.75 JMJD6 (0.46) CYP4F2CYP4A11
SCHEMBL5569809 0.74 PDPK1 (0.61) LTA4H

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 3 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
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 LTA4H 3100/4885NPSR1 35/4885CYP4F2 2278/4885

“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.