SCHEMBL13017168

SCHEMBL13017168

CC(C)Cc1cnc(-c2ccccc2Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ MAPK14 Q16539 4/20 0.39
▸ OXTR P30559 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ LIMK1 P53667 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ GAA P10253 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
SCHEMBL15060604 0.82 CYP1A2 (0.45) CYP1A2CYP3A4ALDH1A1TSHRCLK4
SCHEMBL13017170 0.75 ALOX5AP (0.48) ALOX5APFEN1
SCHEMBL6466753 0.73 NOS3 (0.40) TSHRUSP2
SCHEMBL2030727 0.73 FEN1 (0.66) ALOX5APFEN1IDO1MAPK14LIMK1
SCHEMBL11679050 0.72 IDO1 (0.50) ALDH1A1ALOX5APFEN1IDO1OXTR
SCHEMBL20476358 0.71 LDHA (0.49) ALDH1A1TSHROXTRL3MBTL1POLB
SCHEMBL13017041 0.70 SIRT6 (0.36) —
SCHEMBL5924626 0.70 IDO1 (0.41) CYP1A2CYP3A4ALDH1A1TSHRCLK4
SCHEMBL5924628 0.70 IDO1 (0.38) CYP1A2CYP3A4TSHRCLK4ALOX5AP
SCHEMBL13017164 0.70 ALOX5AP (0.43) 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 CYP1A2 577/4885CYP3A4 760/4885ALDH1A1 167/4885

“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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