SCHEMBL21113196

SCHEMBL21113196

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cncs3)cn12)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 6/20 0.37
EED O75530 5/20 0.37
RBBP4 Q09028 5/20 0.37
SUZ12 Q15022 5/20 0.37
AEBP2 Q6ZN18 5/20 0.37
ALDH1A1 P00352 4/20 0.35
PLAUR Q03405 1/20 0.35
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
GSK3B P49841 2/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
OPRK1 P41145 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL21113389 0.87 GPR119 (0.37) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21113156 0.87 GPR119 (0.42) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21156531 0.85 ALDH1A1 (0.40) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21156122 0.85 EED (0.46) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL23183904 0.84 GSK3B (0.37) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL19964445 0.84 EZH2 (0.46) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21156100 0.84 ALDH1A1 (0.42) ALDH1A1PLAURMKNK1MKNK2KDM4E
SCHEMBL21113404 0.84 EZH2 (0.46) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21113380 0.83 EED (0.49) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL21157291 0.83 EED (0.43) EZH2EEDRBBP4SUZ12AEBP2

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 6 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
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
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 EZH2 1/4885EED 41/4885RBBP4 288/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 EZH2 1/4885EED 41/4885RBBP4 288/4885

“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.