SCHEMBL22729461

SCHEMBL22729461

Cc1cn(CC#N)c(=O)c2c(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SPR P35270 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ PROKR1 Q8TCW9 1/20 0.37
▸ PRKAA2 P54646 4/20 0.37
▸ PRKAB2 O43741 3/20 0.37
▸ PRKAG1 P54619 3/20 0.37
▸ PRKAA1 Q13131 3/20 0.37

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
SCHEMBL22729594 0.86 SPR (0.38) KCNH2MCHR1KDM4EALDH1A1HPGD
SCHEMBL22729427 0.86 KCNH2 (0.44) KCNH2MCHR1KDM4EALDH1A1HPGD
SCHEMBL22729794 0.79 MAPT (0.45) KCNH2MCHR1KDM4EHPGDSPR
SCHEMBL29839340 0.78 CACNB4 (0.45) ALDH1A1SPRCNR1TP53
SCHEMBL22729645 0.78 CACNB4 (0.45) ALDH1A1SPRCNR1TP53
SCHEMBL22729599 0.75 MAPT (0.39) ALDH1A1EPHX2HRH3CNR1
SCHEMBL29839304 0.75 MAPT (0.39) ALDH1A1EPHX2HRH3CNR1
SCHEMBL22729571 0.75 CNR1 (0.41) SPRCYP3A4PRKAA2CNR1
SCHEMBL29839366 0.75 CNR1 (0.41) SPRCYP3A4PRKAA2CNR1
SCHEMBL22729604 0.74 NTRK1 (0.43) KCNH2SPREPHX2FPR2PROKR1

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 3 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
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 KCNH2 2434/4885MCHR1 2356/4885KDM4E 1315/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC KCNH2 2533/4885MCHR1 2232/4885KDM4E 1270/4885

“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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