SCHEMBL21787316

SCHEMBL21787316

C=CC(=O)N1CC(N(C)CCC)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 10/20 0.39
FGFR1 P11362 4/20 0.37
FGFR2 P21802 4/20 0.37
JAK3 P52333 4/20 0.35
JAK1 P23458 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL21787541 0.79 PIK3CD (0.39) KRASJAK3JAK1BTK
SCHEMBL20326222 0.78 JAK3 (0.44) KRASJAK3JAK1BTK
SCHEMBL21610062 0.75 JAK3 (0.40) KRASJAK3JAK1BTK
SCHEMBL23537913 0.74 KRAS (0.43) KRASJAK3JAK1BTK
SCHEMBL20314878 0.72 KRAS (0.38) KRASFGFR1JAK3JAK1BTK
SCHEMBL22296380 0.72 JAK3 (0.47) JAK3JAK1BTK
SCHEMBL22296218 0.72 JAK3 (0.47) JAK3JAK1BTK
SCHEMBL24027370 0.71 NR1H2 (0.48) JAK3JAK1
SCHEMBL17617238 0.71 KRAS (0.36) KRASFGFR1FGFR2JAK3BTK
SCHEMBL26617906 0.70 ALDH1A1 (0.39)

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-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof ISOCURE BIOSCIENCES INC. (US) 2021-10-19 US disclosed
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2020-03-05 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-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof IDH1, IDH2, IDH3A KRAS 152/4885FGFR1 624/4885FGFR2 941/4885
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A KRAS 152/4885FGFR1 624/4885FGFR2 941/4885

“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.