SCHEMBL22729604

SCHEMBL22729604

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.43
▸ KCNH2 Q12809 8/20 0.43
▸ NTRK2 Q16620 6/20 0.43
▸ NTRK3 Q16288 5/20 0.43
▸ FPR2 P25090 2/20 0.42
▸ PROKR1 Q8TCW9 2/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ SPR P35270 1/20 0.41
▸ EPHX2 P34913 4/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ MGLL Q99685 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
SCHEMBL22729848 0.92 PRKAA2 (0.44) FPR2PROKR1MMP2MMP13SPR
SCHEMBL22729594 0.80 SPR (0.38) KCNH2FPR2PROKR1SPREPHX2
SCHEMBL22729777 0.79 MMP13 (0.44) NTRK1KCNH2NTRK2NTRK3FPR2
SCHEMBL22729674 0.78 MGLL (0.37) KCNH2MMP2SPREPHX2MGLL
SCHEMBL22729461 0.74 KCNH2 (0.41) KCNH2FPR2PROKR1SPREPHX2
SCHEMBL22729427 0.74 KCNH2 (0.44) KCNH2MGLL
SCHEMBL22729794 0.74 MAPT (0.45) KCNH2SPR
SCHEMBL29839366 0.74 CNR1 (0.41) SPRCNR1MGLL
SCHEMBL29839340 0.73 CACNB4 (0.45) SPRCNR1MGLL
SCHEMBL29839304 0.72 MAPT (0.39) EPHX2CNR1HSD11B1MGLL

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 NTRK1 4856/4885KCNH2 2434/4885NTRK2 4122/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC NTRK1 4858/4885KCNH2 2533/4885NTRK2 4118/4885

“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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