SCHEMBL21113245

SCHEMBL21113245

C=C(c1c(C)c(C(=O)OCC)cc2c(C(C)C)c(-c3nccn3C)cn12)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.39
EZH2 Q15910 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
KCNH2 Q12809 1/20 0.34
PIK3CA P42336 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
AEBP2 Q6ZN18 1/20 0.33
RAD52 P43351 1/20 0.33
UHRF1 Q96T88 1/20 0.33
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL21113084 0.84 EED (0.45) USP2EZH2TMEM97KCNH2PIK3CA
SCHEMBL21113057 0.78 TLR9 (0.33) ALDH1A1
SCHEMBL21113164 0.76 PARP1 (0.34) USP2EZH2KCNH2ALDH1A1KDM4E
SCHEMBL28886419 0.75 EZH2 (0.40) USP2EZH2ALDH1A1LMNAKDM4E
SCHEMBL29986336 0.75 EZH2 (0.40) USP2EZH2ALDH1A1LMNAKDM4E
SCHEMBL21157340 0.74 EZH2 (0.45) USP2EZH2TMEM97ALDH1A1LMNA
SCHEMBL21157313 0.70 ALDH1A1 (0.41) USP2ALDH1A1LMNAKDM4EHPGD
SCHEMBL19964724 0.69 ALDH1A1 (0.43) USP2EZH2ALDH1A1LMNAKDM4E
SCHEMBL21157318 0.67 EZH2 (0.44) EZH2KCNH2ALDH1A1LMNAEED
SCHEMBL21156577 0.66 EED (0.40) 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 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 USP2 3578/4885EZH2 1/4885TMEM97 4838/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 USP2 3578/4885EZH2 1/4885TMEM97 4838/4885

“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.