SCHEMBL22471887

SCHEMBL22471887

Nc1nnc(-c2ccc3c(c2)CCO3)o1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.61
▸ GSK3B P49841 12/20 0.55
▸ MAPT P10636 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPC1 O15118 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.46
▸ DGAT1 O75907 1/20 0.46
▸ NOTUM Q6P988 1/20 0.46

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
SCHEMBL1395948 0.82 GSK3B (0.55) DYRK1AGSK3BMAPTRAB9ANPC1
SCHEMBL13435542 0.81 NPC1 (0.62) DYRK1AGSK3BMAPTRAB9ASMN1; SMN2
SCHEMBL3490039 0.79 GSK3B (0.66) DYRK1AGSK3B
SCHEMBL3491930 0.78 GSK3B (0.61) DYRK1AGSK3BMAPTRAB9ANPC1
SCHEMBL24653524 0.76 NPC1 (0.65) GSK3BMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL30622710 0.76 NPC1 (0.65) GSK3BMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3491163 0.76 GSK3B (0.50) DYRK1AGSK3BMAPTRAB9ANPC1
SCHEMBL21776965 0.74 NOTUM (0.60) DYRK1AGSK3BNOTUM
SCHEMBL3491505 0.73 GSK3B (0.83) GSK3B
SCHEMBL3491221 0.72 GSK3B (0.60) DYRK1AGSK3BKDM4E

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-20220169640-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF KABUSHIKI KAISHA YAKULT HONSHA (JP) 2022-06-02 — — US disclosed
EP-3943159-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF Kabushiki Kaisha Yakult Honsha (JP) 2022-01-26 — — EP disclosed
WO-2020196327-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF 株式会社ヤクルト本社 2020-10-01 — — WO 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-20220169640-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF BCKDK, CBR3, NQO2 DYRK1A 1407/4885GSK3B 2301/4885MAPT 3851/4885

“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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