SCHEMBL21834470

SCHEMBL21834470

COC(=O)c1cc(Cc2ccc(-c3cn(C)cn3)cc2)c2c(c1F)CCO2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 8/20 0.35
KAT5 Q92993 6/20 0.35
KAT8 Q9H7Z6 13/20 0.35
NTRK1 P04629 2/20 0.35
CHRM1 P11229 1/20 0.34
KCNH2 Q12809 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34

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
SCHEMBL23713286 0.89 NTRK1 (0.41) KAT6AKAT5KAT8NTRK1KCNH2
SCHEMBL23698796 0.89 KAT6A (0.36) KAT6AKAT5KAT8NTRK1CHRM1
SCHEMBL23698891 0.88 BRD4 (0.36) KAT6AKAT5CHRM1
SCHEMBL23698817 0.85 CHRM1 (0.47) CHRM1
SCHEMBL23698798 0.82 CHRM1 (0.49) CHRM1
SCHEMBL21834493 0.81 CHRM1 (0.44) CHRM1
SCHEMBL21834480 0.81 CHRM1 (0.58) CHRM1
SCHEMBL23698806 0.78 CD74 (0.37)
SCHEMBL23698815 0.78 CHRM1 (0.47) CHRM1
SCHEMBL23698855 0.77 BRD4 (0.35) KAT6AKAT5CHRM1

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-12162864-B2 Condensed-cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-12-10 US disclosed
EP-3858823-A1 CONDENSED-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-08-04 EP disclosed
WO-2020067457-A1 CONDENSED-CYCLIC COMPOUND 武田薬品工業株式会社 2020-04-02 WO 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 (1 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-12162864-B2 Condensed-cyclic compound SLC10A2, VIP, AVPR2 KAT6A 1717/4885KAT5 586/4885KAT8 1799/4885

“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.