SCHEMBL27014322

SCHEMBL27014322

O=C(O)C#Cc1ccc(-c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.43
▸ FFAR1 O14842 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 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
SCHEMBL3859184 0.87 EGLN1 (0.46) MAP4K4
SCHEMBL10131002 0.77 GRM5 (0.54) GRM5FFAR1FFAR4
SCHEMBL26262737 0.76 GRM5 (0.54) GRM5SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5219755 0.76 RAB9A (0.45) SMN1; SMN2MAPTHIF1ANPC1NFKB1
SCHEMBL16086914 0.75 GRM5 (0.49) GRM5FFAR1FFAR4
SCHEMBL2560784 0.74 FFAR1 (0.50) GRM5FFAR1MAPT
SCHEMBL162349 0.74 FFAR1 (0.58) FFAR1SMN1; SMN2MAPT
SCHEMBL70602 0.72 CHEK1 (0.63) SMN1; SMN2MAPTNPC1NFKB1RAB9A
SCHEMBL31588411 0.72 CHEK1 (0.63) SMN1; SMN2MAPTNPC1NFKB1RAB9A
SCHEMBL19385063 0.72 RAB9A (0.45) GRM5SMN1; SMN2MAPTHIF1ANPC1

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-11912679-B2 Aryl alkynamide derivatives ASTELLAS PHARMA, INC. (JP) 2024-02-27 — — US disclosed
US-11912679-B2 Aryl alkynamide derivatives ASTELLAS PHARMA, INC. (JP) 2024-02-27 — — US disclosed
US-20240018113-A1 ARYL ALKYNAMIDE DERIVATIVES ASTELLAS PHARMA, INC. (JP) 2024-01-18 — — US disclosed
US-20240018113-A1 ARYL ALKYNAMIDE DERIVATIVES ASTELLAS PHARMA, INC. (JP) 2024-01-18 — — 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-20240018113-A1 ARYL ALKYNAMIDE DERIVATIVES STING1, IRF3, TBK1 GRM5 3369/4885FFAR1 2341/4885SMN1; SMN2 382/4885
US-11912679-B2 Aryl alkynamide derivatives STING1, IRF3, TBK1 GRM5 3369/4885FFAR1 2341/4885SMN1; SMN2 382/4885

“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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