SCHEMBL21157362

SCHEMBL21157362

C=C(c1c(C)c(C(=O)OC(C)C)cc2cncn12)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
OPRK1 P41145 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.32
BRD9 Q9H8M2 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ADORA1 P30542 1/20 0.32
PKM P14618 1/20 0.32
EZH2 Q15910 2/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
AEBP2 Q6ZN18 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL21113404 0.85 EZH2 (0.46) ALDH1A1OPRK1LMNASMN1; SMN2BRD9
SCHEMBL21251244 0.83 ALDH1A1 (0.41) ALDH1A1OPRK1LMNASMN1; SMN2KDM4E
SCHEMBL19964770 0.83 ALDH1A1 (0.38) ALDH1A1OPRK1LMNASMN1; SMN2KDM4E
SCHEMBL19964390 0.83 EED (0.39) ALDH1A1OPRK1LMNASMN1; SMN2KDM4E
SCHEMBL21156531 0.82 ALDH1A1 (0.40) ALDH1A1OPRK1LMNASMN1; SMN2KDM4E
SCHEMBL21113196 0.82 EZH2 (0.37) ALDH1A1OPRK1LMNASMN1; SMN2KDM4E
SCHEMBL21157354 0.81 ALDH1A1 (0.38) ALDH1A1OPRK1LMNASMN1; SMN2EZH2
SCHEMBL23183904 0.81 GSK3B (0.37) ALDH1A1OPRK1LMNASMN1; SMN2MKNK1
SCHEMBL21156100 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMKNK1MKNK2HTT
SCHEMBL21157291 0.80 EED (0.43) ALDH1A1OPRK1LMNASMN1; SMN2KDM4E

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 3 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
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 2816/4885OPRK1 4873/4885LMNA 2826/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ALDH1A1 2816/4885OPRK1 4873/4885LMNA 2826/4885

“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.