SCHEMBL22729486

SCHEMBL22729486

Cc1cn(C)c(=O)c2c(C(=O)NCc3ccccc3)cn(C)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.65
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
HPGD P15428 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL22729513 0.85 BRD4 (0.48) BRD4CNR1CNR2KDM4EALDH1A1
SCHEMBL22729608 0.82 KDM4E (0.49) BRD4KDM4EALDH1A1MAPTPKM
SCHEMBL22729809 0.81 BRD4 (0.44) BRD4KDM4EALDH1A1MAPTPKM
SCHEMBL22729472 0.81 RAB9A (0.55) BRD4KDM4EALDH1A1KMT2AMEN1
SCHEMBL22729842 0.81 P2RX7 (0.43) BRD4CNR2KDM4EALDH1A1MAPT
SCHEMBL22729595 0.80 BRD4 (0.58) BRD4CNR1CNR2KDM4EALDH1A1
SCHEMBL22729624 0.78 CNR2 (0.43) BRD4CNR1CNR2
SCHEMBL29839321 0.77 P2RX7 (0.42) BRD4KDM4EALDH1A1MAPTPKM
SCHEMBL13591317 0.77 BRD4 (0.67) BRD4CNR1CNR2KDM4EALDH1A1
SCHEMBL22729664 0.77 MAP2K1 (0.47) BRD4CNR1CNR2KDM4EALDH1A1

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 BRD4 1170/4885CNR1 856/4885CNR2 801/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC BRD4 1201/4885CNR1 851/4885CNR2 804/4885

“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.