SCHEMBL21157376

SCHEMBL21157376

C=C(c1c(C)c(C(=O)OC(C)C)cc2c(-c3ccc(N4CCOCC4)cc3)ccn12)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.43
ALDH1A1 P00352 2/20 0.35
BAZ2B Q9UIF8 3/20 0.35
BAZ2A Q9UIF9 1/20 0.35
PRKDC P78527 1/20 0.35
BRD9 Q9H8M2 2/20 0.35
LMNA P02545 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.34
AKR1C3 P42330 1/20 0.34
GAA P10253 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
CFTR P13569 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL21157365 0.92 EZH2 (0.42) EZH2ALDH1A1BAZ2BBAZ2APRKDC
SCHEMBL19964532 0.91 EZH2 (0.44) EZH2ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL21156135 0.90 EZH2 (0.45) EZH2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL21113257 0.90 EZH2 (0.46) EZH2ALDH1A1BAZ2BBAZ2ALMNA
SCHEMBL21113476 0.90 EZH2 (0.44) EZH2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL21113443 0.89 EZH2 (0.45) EZH2ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL21156143 0.85 EZH2 (0.45) EZH2ALDH1A1LMNASMN1; SMN2
SCHEMBL21157338 0.85 EZH2 (0.45) EZH2ALDH1A1PRKDCBRD9SMN1; SMN2
SCHEMBL21113051 0.84 EZH2 (0.46) EZH2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL21157291 0.84 EED (0.43) EZH2ALDH1A1PRKDCLMNAMKNK1

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 EZH2 1/4885ALDH1A1 2816/4885BAZ2B 15/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 EZH2 1/4885ALDH1A1 2816/4885BAZ2B 15/4885

“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.