SCHEMBL13017170

SCHEMBL13017170

CC(C)Cc1cnc(-c2ccccc2OC(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 4/20 0.48
▸ FEN1 P39748 4/20 0.48
▸ GPR84 Q9NQS5 1/20 0.42
▸ RORC P51449 2/20 0.40
▸ SCN9A Q15858 5/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL15060594 0.85 ALOX5AP (0.48) ALOX5APFEN1GPR84RORCSCN9A
SCHEMBL13017150 0.82 RORC (0.49) ALOX5APFEN1GPR84RORCSCN9A
SCHEMBL13017168 0.75 CYP1A2 (0.42) ALOX5APFEN1
SCHEMBL266175 0.71 RORC (0.54) ALOX5APFEN1GPR84RORCSCN9A
SCHEMBL13017164 0.70 ALOX5AP (0.43) ALOX5APFEN1
SCHEMBL14744175 0.69 ALOX5AP (0.51) ALOX5APFEN1GPR84RORCSCN9A
SCHEMBL2662469 0.69 SLC6A2 (0.49) —
SCHEMBL13017143 0.68 ALOX5AP (0.45) ALOX5APFEN1RORCSCN9A
SCHEMBL27955785 0.67 HSD11B1 (0.50) ALOX5APFEN1SCN9AHSD11B1PDE10A
SCHEMBL8230055 0.67 GRM5 (0.52) ALOX5APFEN1GPR84SCN9AHSD11B1

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-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 — — US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 — — US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 — — US 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-20100331358-A1 TETRAHYDROFUROPYRIDONES HIF1AN, EGLN3, HIF1A ALOX5AP 1075/4885FEN1 4018/4885GPR84 1736/4885

“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.

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