SCHEMBL21113193

SCHEMBL21113193

CCOC(=O)c1cc2cc(-c3nccs3)cn2c(C(C)=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 6/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 4/20 0.38
RECQL P46063 1/20 0.38
CHEK2 O96017 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 2/20 0.34
KCNB1 Q14721 1/20 0.34
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 4/20 0.33
GLA P06280 3/20 0.33
SMPD3 Q9NY59 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 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
SCHEMBL21156113 0.84 KDM4E (0.37) ALDH1A1KDM4EHPGDHSD17B10RECQL
SCHEMBL19964897 0.81 CASP1 (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL21113150 0.80 EED (0.37) ALDH1A1KDM4EHPGDHSD17B10RECQL
SCHEMBL21113398 0.80 BAZ2B (0.39) ALDH1A1KDM4EHPGDHSD17B10RECQL
SCHEMBL19964442 0.79 EED (0.38) ALDH1A1KDM4EHPGDHSD17B10RECQL
SCHEMBL29985958 0.79 LMNA (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL21113401 0.79 LMNA (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL21156580 0.79 EED (0.38) ALDH1A1KDM4EHPGDHSD17B10BAZ2B
SCHEMBL21113246 0.79 BAZ2B (0.38) ALDH1A1KDM4EHPGDHSD17B10BAZ2B
SCHEMBL21113282 0.79 BAZ2B (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPK1

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 2816/4885KDM4E 52/4885HPGD 2872/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ALDH1A1 2816/4885KDM4E 52/4885HPGD 2872/4885

“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.