Sugi Predict

Sugi Predict / Compounds / SCHEMBL21113476

SCHEMBL21113476

SCHEMBL21113476

C=C(c1c(C)c(C(=O)OC(C)C)cc2c(-c3ccc(C)c(C)c3)ccn12)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 2/20 0.44
▸ ALDH1A1 P00352 7/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ FKBP1A P62942 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ EED O75530 1/20 0.32
▸ RBBP4 Q09028 1/20 0.32
▸ SUZ12 Q15022 1/20 0.32
▸ AEBP2 Q6ZN18 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL21157376 0.90 EZH2 (0.43) EZH2ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19964532 0.89 EZH2 (0.44) EZH2ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL21113443 0.89 EZH2 (0.45) EZH2ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL21156135 0.89 EZH2 (0.45) EZH2ALDH1A1MEN1MAPK1KMT2A
SCHEMBL21113257 0.88 EZH2 (0.46) EZH2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21157338 0.86 EZH2 (0.45) EZH2ALDH1A1MEN1MAPK1KMT2A
SCHEMBL21157365 0.86 EZH2 (0.42) EZH2ALDH1A1MAPTKDM4EEED
SCHEMBL21113051 0.86 EZH2 (0.46) EZH2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21156143 0.85 EZH2 (0.45) EZH2ALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL28886523 0.85 EZH2 (0.42) EZH2ALDH1A1SMN1; SMN2LMNAKDM4E

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 1/4885ALDH1A1 2816/4885MEN1 428/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 EZH2 1/4885ALDH1A1 2816/4885MEN1 428/4885

“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.