SCHEMBL23116394

SCHEMBL23116394

Cc1cn(C)c(=O)c2c(C(=O)NC3CCC(C#N)CC3)cn(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 1/20 0.42
CECR2 Q9BXF3 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
ALDH1A1 P00352 5/20 0.40
PDE7A Q13946 1/20 0.39
EGLN1 Q9GZT9 2/20 0.35
CNR2 P34972 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
BRD4 O60885 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 3/20 0.33
USP30 Q70CQ3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NR3C1 P04150 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
SCHEMBL22729760 1.00 TAF1 (0.42) TAF1CECR2BRD9ALDH1A1PDE7A
SCHEMBL22729800 0.85 ALDH1A1 (0.55) ALDH1A1CNR2NPC1RAB9ATAS1R3
SCHEMBL22729822 0.83 ALDH1A1 (0.46) TAF1CECR2BRD9ALDH1A1EGLN1
SCHEMBL22729861 0.82 TAF1 (0.42) TAF1CECR2BRD9ALDH1A1CNR2
SCHEMBL22729650 0.81 ALDH1A1 (0.41) TAF1CECR2BRD9ALDH1A1
SCHEMBL22729682 0.81 LIPG (0.53) TAF1CECR2BRD9ALDH1A1
SCHEMBL22729689 0.78 TAF1 (0.43) TAF1CECR2BRD9ALDH1A1KDM4E
SCHEMBL22729405 0.78 MTNR1A (0.48) TAF1CECR2BRD9ALDH1A1NPC1
SCHEMBL29839350 0.78 MTNR1A (0.48) TAF1CECR2BRD9ALDH1A1NPC1
SCHEMBL22729552 0.78 TAF1 (0.44) TAF1CECR2BRD9ALDH1A1CNR2

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-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC TAF1 3412/4885CECR2 1109/4885BRD9 2497/4885

“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.