SCHEMBL22729593

SCHEMBL22729593

Cc1cn(C)c(=O)c2c(C(=O)Nc3ccc(Oc4ccccc4)cc3)cn(C)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 3/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
PGR P06401 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
STAT3 P40763 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 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
SCHEMBL22729472 0.90 RAB9A (0.55) LMNAMEN1KMT2ARAB9AALDH1A1
SCHEMBL22729438 0.86 GPR55 (0.55) LMNAMEN1KMT2ARAB9AALDH1A1
SCHEMBL22729669 0.86 NPC1 (0.44) LMNAMAPK1MEN1KMT2ARAB9A
SCHEMBL22754978 0.82 LMNA (0.46) PNLIPLMNAMAPK1GFERPGR
SCHEMBL22729541 0.81 USP2 (0.64) KMT2ARAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL22729623 0.80 PDK1 (0.51) LMNANR1H4MEN1KMT2ARAB9A
SCHEMBL22729483 0.78 RAB9A (0.48) LMNAMEN1KMT2ARAB9AALDH1A1
SCHEMBL29839333 0.76 KMT2A (0.50) MAPK1MEN1KMT2ARAB9AALDH1A1
SCHEMBL22729733 0.76 KMT2A (0.50) MAPK1MEN1KMT2ARAB9AALDH1A1
SCHEMBL22729814 0.76 PKM (0.55) LMNAMAPK1MEN1KMT2ARAB9A

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 PNLIP 83/4885LMNA 695/4885MAPK1 1029/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC PNLIP 85/4885LMNA 680/4885MAPK1 1057/4885

“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.