SCHEMBL24975583

SCHEMBL24975583

NC(=O)c1c(C#CC2CCCCCCCCCC2)n[nH]c1N

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 5/20 0.34
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
IKBKB O14920 1/20 0.32
CYP1A2 P05177 1/20 0.31
GRM5 P41594 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
PRKD1 Q15139 1/20 0.30
EGFR P00533 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
SCHEMBL22605319 1.00 HAO1 (0.34) HAO1FFAR1FFAR4IKBKBCYP1A2
SCHEMBL22605320 0.73 EGFR (0.33) FFAR1FFAR4CYP1A2GRM5PRKD1
SCHEMBL23961759 0.73 EGFR (0.33) FFAR1FFAR4CYP1A2GRM5PRKD1
SCHEMBL24975581 0.73 EGFR (0.33) FFAR1FFAR4CYP1A2GRM5PRKD1
SCHEMBL22605600 0.72 PRKD1 (0.33) FFAR1FFAR4CYP1A2GRM5PRKD1
SCHEMBL21163708 0.72 RET (0.34) FFAR1FFAR4CYP1A2GRM5PRKD1
SCHEMBL24975582 0.72 RET (0.34) FFAR1FFAR4CYP1A2GRM5PRKD1
SCHEMBL22605321 0.72 PRKD1 (0.33) FFAR1FFAR4CYP1A2GRM5PRKD1
SCHEMBL22605599 0.72 RET (0.34) FFAR1FFAR4CYP1A2GRM5PRKD1
SCHEMBL19993616 0.69 PRKD1 (0.35) FFAR1FFAR4CYP1A2GRM5PRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572353-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-02-07 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-11572353-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 HAO1 3777/4885FFAR1 158/4885FFAR4 142/4885

“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.