SCHEMBL21113055

SCHEMBL21113055

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3nccn3C)cn12)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EED O75530 3/20 0.36
RBBP4 Q09028 3/20 0.36
SUZ12 Q15022 3/20 0.36
EZH2 Q15910 3/20 0.36
AEBP2 Q6ZN18 3/20 0.36
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
GPR119 Q8TDV5 4/20 0.32
TBK1 Q9UHD2 3/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
RET P07949 2/20 0.31
GRIA1 P42261 1/20 0.31
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL21156577 0.90 EED (0.40) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21157340 0.87 EZH2 (0.45) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113417 0.86 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113406 0.85 GPR119 (0.41) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113386 0.85 TBK1 (0.41) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113156 0.82 GPR119 (0.42) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113181 0.82 LMNA (0.36) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113284 0.78 RET (0.44) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21157353 0.76 SOS1 (0.37)
SCHEMBL21113057 0.75 TLR9 (0.33) POLBHTTATMGPR119TBK1

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 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.