SCHEMBL22729623

SCHEMBL22729623

Cc1cn(C)c(=O)c2c(C(=O)Nc3cccc(OCc4ccccc4)c3)cn(C)c12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NR1H4 Q96RI1 4/20 0.48
LRRK2 Q5S007 1/20 0.47
USP2 O75604 1/20 0.47
MET P08581 1/20 0.47
RXFP1 Q9HBX9 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL22729438 0.89 GPR55 (0.55) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL22729541 0.85 USP2 (0.64) KMT2AUSP2RXFP1NPC1RAB9A
SCHEMBL22729676 0.83 TDP1 (0.53) MEN1KMT2ARXFP1LMNATP53
SCHEMBL22729472 0.82 RAB9A (0.55) MEN1KMT2AUSP2NPC1RAB9A
SCHEMBL22729593 0.80 PNLIP (0.49) PDK1PDK2PDK3PDK4MEN1
SCHEMBL11779160 0.78 KMT2A (0.63) PDK1PDK2PDK3PDK4MEN1
SCHEMBL22755173 0.76 GPR55 (0.53) MEN1KMT2ANPC1RAB9A
SCHEMBL22729486 0.75 BRD4 (0.65) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL22647160 0.75 MEN1 (0.55) PDK1PDK2PDK3PDK4MEN1
SCHEMBL22729677 0.74 MAPT (0.53) MEN1KMT2ARXFP1NPC1RAB9A

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 PDK1 2009/4885PDK2 1583/4885PDK3 2192/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC PDK1 1930/4885PDK2 1505/4885PDK3 2159/4885

“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.