SCHEMBL22729472

SCHEMBL22729472

Cc1cn(C)c(=O)c2c(C(=O)Nc3ccccc3)cn(C)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 3/20 0.50
BCAT2 O15382 2/20 0.46
AHR P35869 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 2/20 0.44
F12 P00748 1/20 0.43
ALDH1A1 P00352 1/20 0.42
AURKA O14965 1/20 0.42
BRD4 O60885 2/20 0.42
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL22729593 0.90 PNLIP (0.49) RAB9AMEN1KMT2AHPGDALDH1A1
SCHEMBL22729483 0.88 RAB9A (0.48) RAB9AMEN1KMT2AHPGDBCAT2
SCHEMBL22729438 0.85 GPR55 (0.55) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL22729541 0.84 USP2 (0.64) RAB9AKMT2AALDH1A1NPC1USP2
SCHEMBL29839397 0.82 ALDH1A1 (0.47) RAB9AMEN1KMT2AHPGDALDH1A1
SCHEMBL22729752 0.82 ALDH1A1 (0.47) RAB9AMEN1KMT2AHPGDALDH1A1
SCHEMBL29839338 0.81 KMT2A (0.46) RAB9AMEN1KMT2AHPGDALDH1A1
SCHEMBL22729624 0.81 CNR2 (0.43) BRD4
SCHEMBL22729486 0.81 BRD4 (0.65) RAB9AMEN1KMT2AHPGDALDH1A1
SCHEMBL22729733 0.81 KMT2A (0.50) RAB9AMEN1KMT2AALDH1A1BRD4

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 RAB9A 239/4885MEN1 1745/4885KMT2A 405/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC RAB9A 239/4885MEN1 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.