SCHEMBL22729480

SCHEMBL22729480

Cc1cn(C)c(=O)c2c(C(=O)Nc3ccc(C#N)cn3)cn(C)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DEGS1 O15121 1/20 0.39
NR3C1 P04150 1/20 0.38
CCR6 P51684 1/20 0.38
FGFR4 P22455 2/20 0.38
NPC1 O15118 4/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP30 Q70CQ3 1/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
HCRTR2 O43614 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL22729744 0.82 RAB9A (0.48) MEN1KMT2ADEGS1NPC1ALDH1A1
SCHEMBL22729493 0.81 GAA (0.52) DEGS1FGFR4NPC1RAB9AGAA
SCHEMBL22729669 0.79 NPC1 (0.44) MEN1KMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL22729770 0.73 RIOK2 (0.44) MEN1KMT2AFGFR4NPC1ALDH1A1
SCHEMBL22729467 0.73 OTUD7B (0.39) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL22729472 0.73 RAB9A (0.55) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL22729824 0.72 KMT2A (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22729691 0.72 SORT1 (0.44) NPC1SMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL22729732 0.69 CNR2 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3715011 0.68 MEN1 (0.58) TMPRSS4MEN1KMT2ADEGS1FGFR4

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 TMPRSS4 4563/4885MEN1 1745/4885KMT2A 405/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC TMPRSS4 4603/4885MEN1 1710/4885KMT2A 410/4885

“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.