SCHEMBL22729673

SCHEMBL22729673

Cc1cn(C)c(=O)c2c(C(=O)N3CCCC(c4ccccc4)C3)cn(C)c12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
MYC P01106 1/20 0.46
PROKR1 Q8TCW9 5/20 0.46
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.42
MGLL Q99685 1/20 0.42
HSD11B1 P28845 1/20 0.41
HCRTR1 O43613 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41

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
SCHEMBL22729425 0.95 TP53 (0.47) ALDH1A1LMNAHPGDTSHRTP53
SCHEMBL22729580 0.90 SPR (0.41) ALDH1A1LMNAHPGDTSHRTP53
SCHEMBL22729626 0.88 ALDH1A1 (0.47) ALDH1A1LMNAHPGDTSHRHSD11B1
SCHEMBL22729758 0.84 PROKR1 (0.53) LMNAMYCPROKR1TP53MGLL
SCHEMBL22729723 0.84 CYP2C9 (0.47) ALDH1A1LMNAHPGDTSHRHSD11B1
SCHEMBL22755041 0.83 ALDH1A1 (0.45) ALDH1A1LMNAHPGDHIF1AMYC
SCHEMBL22729499 0.82 HSP90AA1 (0.49)
SCHEMBL22729666 0.81 KDM4E (0.44) ALDH1A1HPGDPROKR1TSHRTP53
SCHEMBL22729771 0.81 HTT (0.44) ALDH1A1LMNAHPGDTSHRTP53
SCHEMBL22729502 0.80 RIPK1 (0.47) ALDH1A1LMNAHPGDTSHRHCRTR1

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-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ALDH1A1 2626/4885LMNA 695/4885HPGD 1589/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ALDH1A1 2660/4885LMNA 680/4885HPGD 1502/4885

“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.