SCHEMBL21715700

SCHEMBL21715700

CCCCCC(CC)c1ccnc(C2CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ACACB O00763 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL26489338 0.73 TLR8 (0.34) NR1I2TLR8
SCHEMBL29460897 0.72 NR1I2 (0.36) NR1I2GAA
SCHEMBL29460862 0.70 NR1I2 (0.37) NR1I2MAPT
SCHEMBL23869472 0.70 GPR84 (0.35) NR1I2TLR8
SCHEMBL26078439 0.69 NR1I2 (0.40) NR1I2MAPT
SCHEMBL22308557 0.69 NR1I2 (0.40) NR1I2MAPT
SCHEMBL24971855 0.69 TLR8 (0.50) TLR8HRH4
SCHEMBL4727951 0.68 TSHR (0.50) NR1I2GAA
SCHEMBL18401337 0.68 TLR8 (0.49) TLR8HRH4
SCHEMBL4461302 0.67 TSHR (0.49) NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 — — US disclosed
US-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS PHARMAKEA, INC. 2020-02-13 — — 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 (2 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-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS BAX, BAD, BCL2 NR1I2 2087/4885IDO1 4043/4885ACACB 1419/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 NR1I2 2087/4885IDO1 4043/4885ACACB 1419/4885

“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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