SCHEMBL22729848

SCHEMBL22729848

Cc1cn(C)c(=O)c2c(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cc4)CC3)cnn12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 1/20 0.44
▸ LIPE Q05469 1/20 0.44
▸ ADRB2 P07550 1/20 0.43
▸ FPR2 P25090 1/20 0.42
▸ PROKR1 Q8TCW9 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ MMP2 P08253 4/20 0.41
▸ MMP13 P45452 4/20 0.41
▸ SPR P35270 2/20 0.40
▸ MDM2 Q00987 4/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TEAD1 P28347 1/20 0.38
▸ SCD O00767 1/20 0.38
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL22729604 0.92 NTRK1 (0.43) FPR2PROKR1EPHX2MMP2MMP13
SCHEMBL22729522 0.80 LIPE (0.45) PRKAA2LIPEADRB2FPR2PROKR1
SCHEMBL22729594 0.79 SPR (0.38) FPR2PROKR1EPHX2SPRMDM2
SCHEMBL29839366 0.75 CNR1 (0.41) PRKAA2LIPESPRCNR1
SCHEMBL22729571 0.75 CNR1 (0.41) PRKAA2LIPESPRCNR1
SCHEMBL22754982 0.74 LIPE (0.43) PRKAA2LIPEADRB2FPR2PROKR1
SCHEMBL22729461 0.74 KCNH2 (0.41) PRKAA2FPR2PROKR1EPHX2SPR
SCHEMBL22729427 0.73 KCNH2 (0.44) PRKAA2KDM4E
SCHEMBL22729794 0.73 MAPT (0.45) SPRKDM4E
SCHEMBL29839340 0.72 CACNB4 (0.45) SPRCNR1

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 PRKAA2 2730/4885LIPE 108/4885ADRB2 2295/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC PRKAA2 2698/4885LIPE 118/4885ADRB2 2424/4885

“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.

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