SCHEMBL21715629

SCHEMBL21715629

CCc1ccnc(N2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.47
▸ SORD Q00796 1/20 0.45
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ DYRK1A Q13627 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ CHKA P35790 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL15599258 0.98 ACHE (0.46) ACHESORDHTR1ADRD2HTR2A
SCHEMBL17827961 0.86 PIK3CA (0.51) ACHESORDHTR1ADRD2HTR2A
SCHEMBL30230267 0.86 HTR1A (0.56) ACHESORDHTR1ADRD2HTR2A
SCHEMBL25236518 0.83 SORD (0.41) ACHESORDHTR1ADRD2HTR2A
SCHEMBL30338356 0.83 SORD (0.41) ACHESORDHTR1ADRD2HTR2A
SCHEMBL24921040 0.81 AOC3 (0.44) ACHEDYRK1ACCNT1CCNA2CDK2
SCHEMBL28059125 0.81 ACHE (0.46) ACHESORDDYRK1ACCNT1CCNA2
SCHEMBL24920520 0.80 MAPT (0.46) ACHEDYRK1ACCNT1CCNA2CDK2
SCHEMBL20804677 0.80 ACHE (0.56) ACHESORDGBA1MAPTMEN1
SCHEMBL31421576 0.79 ACHE (0.43) ACHESORDDYRK1ACHRNA7CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 — — US disclosed
US-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2022-06-14 — — US disclosed
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 (4 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 ACHE 4322/4885SORD 2866/4885HTR1A 3572/4885
US-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR27, GCGR ACHE 4834/4885SORD 2554/4885HTR1A 579/4885
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR3, GPR39 ACHE 4690/4885SORD 2603/4885HTR1A 421/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 ACHE 4322/4885SORD 2866/4885HTR1A 3572/4885

“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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