SCHEMBL22729552

SCHEMBL22729552

Cc1cn(C)c(=O)c2c(C(=O)NC3CCN(c4ccccc4)CC3)cn(C)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 1/20 0.44
CECR2 Q9BXF3 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CNR2 P34972 1/20 0.40
RIPK1 Q13546 1/20 0.40
NPY5R Q15761 1/20 0.39
ME3 Q16798 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL22729845 0.85 POLB (0.64) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22729682 0.84 LIPG (0.53) TAF1CECR2BRD9ALDH1A1
SCHEMBL22729800 0.82 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KMT2ACNR2NPC1
SCHEMBL22729680 0.82 LIPG (0.43) TAF1CECR2BRD9POLBALDH1A1
SCHEMBL22729712 0.82 EPHX2 (0.39) TAF1CECR2BRD9POLBALDH1A1
SCHEMBL22729709 0.82 EPHX2 (0.39) TAF1CECR2BRD9POLBALDH1A1
SCHEMBL22729838 0.81 POLB (0.56) POLBALDH1A1KDM4EDRD2DRD3
SCHEMBL22729399 0.81 CNR2 (0.50) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23116402 0.80 EPHX2 (0.44) TAF1CECR2BRD9POLBALDH1A1
SCHEMBL22729689 0.80 TAF1 (0.43) TAF1CECR2BRD9POLBALDH1A1

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 TAF1 3412/4885CECR2 1109/4885BRD9 2497/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC TAF1 3452/4885CECR2 1083/4885BRD9 2508/4885

“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.