SCHEMBL21113397

SCHEMBL21113397

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3ccnn3C)cn12)N1CCC(N(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.48
RBBP4 Q09028 4/20 0.48
SUZ12 Q15022 4/20 0.48
EZH2 Q15910 4/20 0.48
AEBP2 Q6ZN18 4/20 0.48
EGFR P00533 1/20 0.32
EIF4E P06730 1/20 0.31
KCNH2 Q12809 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
OPRK1 P41145 2/20 0.31
PIK3CA P42336 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL21157289 0.88 EZH2 (0.44) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21157355 0.87 EED (0.35) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113323 0.86 EED (0.37) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113295 0.85 EZH2 (0.36) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113109 0.85 EZH2 (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113324 0.85 EED (0.64) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113423 0.84 GPR119 (0.36) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113386 0.84 TBK1 (0.41) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964911 0.83 EED (0.36) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113424 0.82 EED (0.37) EEDRBBP4SUZ12EZH2AEBP2

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
CN-109790160-B Pyrido five-membered aromatic ring compound, preparation method and application thereof 上海海和药物研究开发股份有限公司 2022-11-15 CN disclosed
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
EP-3524602-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2019-08-14 EP 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 EED 41/4885RBBP4 288/4885SUZ12 3/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 EED 41/4885RBBP4 288/4885SUZ12 3/4885

“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.