SCHEMBL21157331

SCHEMBL21157331

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cccc(N4CCOCC4)c3)cn12)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.46
RBBP4 Q09028 2/20 0.46
SUZ12 Q15022 2/20 0.46
EZH2 Q15910 2/20 0.46
AEBP2 Q6ZN18 2/20 0.46
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LRRK2 Q5S007 2/20 0.36
JMJD6 Q6NYC1 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
KMO O15229 1/20 0.35
AKR1C3 P42330 1/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 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
SCHEMBL21157291 0.91 EED (0.43) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21157283 0.89 ALOX15 (0.41) KDM4EPOLBMAPTALDH1A1LMNA
SCHEMBL21113144 0.88 RAB9A (0.42) KDM4EMAPTL3MBTL1ALDH1A1PRKDC
SCHEMBL19964625 0.87 PRKDC (0.36) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21251228 0.86 CNR2 (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21157365 0.85 EZH2 (0.42) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21156100 0.85 ALDH1A1 (0.42) KDM4EPOLBMAPTALDH1A1MKNK1
SCHEMBL21156531 0.84 ALDH1A1 (0.40) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21157327 0.84 PRKCZ (0.42) KDM4EPOLBMAPTNPSR1L3MBTL1
SCHEMBL21157328 0.84 EED (0.62) 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 3 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-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.