SCHEMBL21113138

SCHEMBL21113138

Cc1c(C(=O)OC(C)C)cc2c(-c3cnn(C4CCOCC4)c3)ccn2c1C(C)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 7/20 0.55
RBBP4 Q09028 7/20 0.55
SUZ12 Q15022 7/20 0.55
EZH2 Q15910 7/20 0.55
AEBP2 Q6ZN18 7/20 0.55
USP28 Q96RU2 1/20 0.36
USP25 Q9UHP3 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CREBBP Q92793 3/20 0.35
OGA O60502 1/20 0.35
DYRK1A Q13627 3/20 0.35
FLT3 P36888 2/20 0.35
SYK P43405 2/20 0.35
AURKB Q96GD4 1/20 0.35
NTRK1 P04629 1/20 0.35
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
GSK3B P49841 2/20 0.34
IRAK4 Q9NWZ3 1/20 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
SCHEMBL28886630 0.90 EED (0.55) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113436 0.87 EED (0.69) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113108 0.85 EZH2 (0.43) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL28886531 0.81 EED (0.58) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113212 0.79 EED (0.50) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113078 0.78 EED (0.72) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964482 0.78 EED (0.62) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21156590 0.77 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113378 0.77 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964976 0.76 EED (0.50) 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 7 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
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 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.