Sugi Predict

Sugi Predict / Compounds / SCHEMBL19964483

SCHEMBL19964483

SCHEMBL19964483

CCOC(=O)c1cc2c(-c3cnn(C(=O)OC(C)(C)C)c3)ccn2c(C(C)=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ GAA P10253 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ GLA P06280 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ SCD O00767 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SCN9A Q15858 2/20 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
SCHEMBL21156148 0.84 ROCK2 (0.30) ROCK2
SCHEMBL19964530 0.78 ALDH1A1 (0.46) TP53ALDH1A1GAAHPGDKDM4E
SCHEMBL21113185 0.77 EED (0.43) —
SCHEMBL21113045 0.77 ALDH1A1 (0.40) TP53ALDH1A1GAAHPGDKDM4E
SCHEMBL21156134 0.76 KDM4E (0.47) TP53POLBALDH1A1GAAHPGD
SCHEMBL21113331 0.75 SIRT2 (0.44) ALDH1A1GAAHPGDKDM4EGLA
SCHEMBL19964962 0.74 EED (0.38) ALDH1A1GAAHPGDKDM4EGLA
SCHEMBL19964975 0.74 ALDH1A1 (0.39) ALDH1A1GAAHPGDKDM4EGLA
SCHEMBL21113468 0.74 MEN1 (0.33) TP53POLBALDH1A1GAAHPGD
SCHEMBL19964421 0.73 SMARCA2 (0.51) TP53POLBALDH1A1GAAHPGD

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
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
WO-2018045971-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发有限公司 2018-03-15 — — WO 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 ROCK2 2337/4885TP53 304/4885POLB 3003/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ROCK2 2337/4885TP53 304/4885POLB 3003/4885

“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.