Sugi Predict

Sugi Predict / Compounds / SCHEMBL21113459

SCHEMBL21113459

SCHEMBL21113459

CCOC(=O)c1cc2cc(-c3ccc(C)c(C)c3)cn2c(C(C)=O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.36
▸ BAZ2A Q9UIF9 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ GAA P10253 5/20 0.34
▸ HPGD P15428 4/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ GLA P06280 2/20 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
SCHEMBL21113224 0.86 ALDH1A1 (0.44) ALDH1A1NPC1TSHRKDM4EMAPT
SCHEMBL21157356 0.86 MAPT (0.44) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL21113050 0.85 ALDH1A1 (0.41) ALDH1A1NPC1KDM4EMAPTGAA
SCHEMBL21113246 0.85 BAZ2B (0.38) ALDH1A1NPC1BAZ2BBAZ2ATSHR
SCHEMBL19964897 0.84 CASP1 (0.45) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL21113303 0.84 ALDH1A1 (0.47) ALDH1A1NPC1TSHRKDM4EMAPT
SCHEMBL21113062 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EALOX15HPGDHSD17B10
SCHEMBL21113302 0.82 RAB9A (0.39) ALDH1A1NPC1TSHRKDM4EMAPT
SCHEMBL21156562 0.82 HPGD (0.37) ALDH1A1NPC1BAZ2BBAZ2AKDM4E
SCHEMBL21113259 0.81 RAB9A (0.48) ALDH1A1NPC1TSHRKDM4EMAPT

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 ALDH1A1 2816/4885NPC1 4625/4885BAZ2B 15/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ALDH1A1 2816/4885NPC1 4625/4885BAZ2B 15/4885

“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.