SCHEMBL21787327

SCHEMBL21787327

C=CC(=O)N1CCC(N(CCC(C)N2CCN(C(=O)C=C)CC2)CC(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 4/20 0.38
FGFR1 P11362 3/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TEAD3 Q99594 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BTK Q06187 2/20 0.31
GPR183 P32249 1/20 0.31
JAK3 P52333 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL21787323 0.76 PIK3CD (0.44) TEAD1FGFR1TEAD3DCUN1D1HSD17B10
SCHEMBL20334399 0.69 GPR183 (0.54) TEAD1MEN1KMT2AGPR183JAK3
SCHEMBL23848526 0.68 TEAD1 (0.36) TEAD1KMT2AGPR183JAK3
SCHEMBL27461646 0.68 GPR183 (0.40) TEAD1KMT2ATEAD3GPR183JAK3
SCHEMBL31387583 0.67 L3MBTL3 (0.51) TEAD1TEAD3DCUN1D1BTKJAK3
SCHEMBL31387587 0.67 L3MBTL3 (0.51) TEAD1TEAD3DCUN1D1BTKJAK3
SCHEMBL21787541 0.67 PIK3CD (0.39) TEAD1BTKJAK3
SCHEMBL19229733 0.67 TEAD1 (0.46) TEAD1MEN1KMT2ATEAD3BTK
SCHEMBL20322723 0.66 JAK3 (0.40) TEAD1FGFR1TEAD3DCUN1D1BTK
SCHEMBL26075065 0.66 TEAD1 (0.39) TEAD1KMT2AGPR183JAK3

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 TEAD1 3585/4885FGFR1 624/4885MEN1 1490/4885
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A TEAD1 3585/4885FGFR1 624/4885MEN1 1490/4885

“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.