Sugi Predict

Sugi Predict / Compounds / SCHEMBL21113181

SCHEMBL21113181

SCHEMBL21113181

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ EED O75530 3/20 0.35
▸ RBBP4 Q09028 3/20 0.35
▸ SUZ12 Q15022 3/20 0.35
▸ EZH2 Q15910 3/20 0.35
▸ AEBP2 Q6ZN18 3/20 0.35
▸ F13A1 P00488 2/20 0.34
▸ TGM2 P21980 2/20 0.34
▸ TGM1 P22735 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19964828 0.87 EED (0.39) LMNAATMEEDRBBP4SUZ12
SCHEMBL19964959 0.87 EED (0.36) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964453 0.85 EED (0.41) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964390 0.84 EED (0.39) LMNAHTTEEDRBBP4SUZ12
SCHEMBL21113474 0.84 EED (0.46) LMNAHTTATMEEDRBBP4
SCHEMBL21113250 0.83 OPRK1 (0.34) ATMEEDRBBP4SUZ12EZH2
SCHEMBL21113464 0.83 EED (0.40) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113386 0.83 TBK1 (0.41) HTTATMEEDRBBP4SUZ12
SCHEMBL21113289 0.82 EED (0.42) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113156 0.82 GPR119 (0.42) HTTATMEEDRBBP4SUZ12

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 5 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
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 LMNA 2826/4885HTT 4433/4885ATM 4471/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 LMNA 2826/4885HTT 4433/4885ATM 4471/4885

“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.