SCHEMBL13017164

SCHEMBL13017164

CC(C)Cc1cnc(-c2ccc(F)cc2F)cn1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 16/20 0.43
▸ FEN1 P39748 17/20 0.41
▸ GRM5 P41594 1/20 0.39

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
SCHEMBL15060590 0.83 ALOX5AP (0.45) ALOX5APFEN1GRM5
SCHEMBL13017141 0.79 GRM2 (0.45) ALOX5APFEN1
SCHEMBL13017166 0.75 CYP11B1 (0.39) ALOX5APFEN1
SCHEMBL6466753 0.71 NOS3 (0.40) —
SCHEMBL5531880 0.70 ESR1 (0.41) —
SCHEMBL19248543 0.70 KMO (0.47) ALOX5APFEN1
SCHEMBL30540118 0.70 KMO (0.47) ALOX5APFEN1
SCHEMBL13017168 0.70 CYP1A2 (0.42) ALOX5APFEN1
SCHEMBL25071922 0.70 KCNH2 (0.41) ALOX5APFEN1GRM5
SCHEMBL13017170 0.70 ALOX5AP (0.48) ALOX5APFEN1

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 4018/4885GRM5 1743/4885

“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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