SCHEMBL21157338

SCHEMBL21157338

C=C(c1c(C)c(C(=O)OC(C)C)cc2c(-c3cccc(OC)c3)ccn12)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.45
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
PLAUR Q03405 1/20 0.36
PRKDC P78527 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL21156135 0.91 EZH2 (0.45) EZH2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL19964532 0.90 EZH2 (0.44) EZH2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL21157365 0.89 EZH2 (0.42) EZH2L3MBTL1ALDH1A1KDM4EPRKDC
SCHEMBL21113051 0.88 EZH2 (0.46) EZH2RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL28886523 0.87 EZH2 (0.42) EZH2ALDH1A1KDM4ESMN1; SMN2PRKDC
SCHEMBL21113476 0.86 EZH2 (0.44) EZH2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL21113443 0.86 EZH2 (0.45) EZH2RAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL21113144 0.85 RAB9A (0.42) RAB9ANPC1L3MBTL1ALDH1A1KDM4E
SCHEMBL21157376 0.85 EZH2 (0.43) EZH2L3MBTL1ALDH1A1SMN1; SMN2PRKDC
SCHEMBL21113257 0.83 EZH2 (0.46) EZH2RAB9AALDH1A1SMN1; SMN2MEN1

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 EZH2 1/4885RAB9A 2704/4885NPC1 4625/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 EZH2 1/4885RAB9A 2704/4885NPC1 4625/4885

“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.