SCHEMBL21113325

SCHEMBL21113325

C=C(c1c(C)c(C(=O)O)cc2c(C(C)C)c(-c3cncn3C)cn12)N1CCC(N(C)C)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL21113072 0.84 EED (0.37)
SCHEMBL21113323 0.75 EED (0.37) GPR119TLR9TLR8TLR7
SCHEMBL21113387 0.71 TBK1 (0.38) GPR119TLR9TLR8TLR7
SCHEMBL21113419 0.70 EZH2 (0.38)
SCHEMBL21113057 0.70 TLR9 (0.33) GPR119TLR9TLR8TLR7
SCHEMBL19964637 0.68 EED (0.52) GPR119
SCHEMBL21113295 0.65 EZH2 (0.36) GPR119
SCHEMBL21113504 0.64 EZH2 (0.36)
SCHEMBL21113389 0.62 GPR119 (0.37) GPR119
SCHEMBL21157355 0.62 EED (0.35) GPR119TLR9TLR8TLR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2021-04-06 US disclosed
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HAIHE BIOPHARMA CO. LTD. (CN) 2019-07-11 US 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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof EZH2, IKZF2, SUZ12 GPR119 3155/4885TLR9 3809/4885TLR8 2472/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 GPR119 3155/4885TLR9 3809/4885TLR8 2472/4885

“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.