SCHEMBL21156531

SCHEMBL21156531

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3ccncc3)cn12)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EZH2 Q15910 5/20 0.35
OPRK1 P41145 2/20 0.34
EED O75530 4/20 0.34
RBBP4 Q09028 4/20 0.34
SUZ12 Q15022 4/20 0.34
AEBP2 Q6ZN18 4/20 0.34
KDM4E B2RXH2 2/20 0.32
USP2 O75604 2/20 0.32
P2RX7 Q99572 1/20 0.32
HPGD P15428 1/20 0.32
FKBP1A P62942 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL21157283 0.91 ALOX15 (0.41) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL21156100 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2P2RX7HPGD
SCHEMBL21157291 0.89 EED (0.43) ALDH1A1LMNASMN1; SMN2EZH2OPRK1
SCHEMBL21113204 0.88 RAB9A (0.42) ALDH1A1LMNASMN1; SMN2KDM4EUSP2
SCHEMBL21157289 0.88 EZH2 (0.44) ALDH1A1LMNASMN1; SMN2EZH2OPRK1
SCHEMBL23183904 0.86 GSK3B (0.37) ALDH1A1LMNASMN1; SMN2EZH2OPRK1
SCHEMBL21113254 0.86 EZH2 (0.46) ALDH1A1LMNASMN1; SMN2EZH2OPRK1
SCHEMBL21156554 0.86 HRH3 (0.39) ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL21156576 0.86 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2EZH2EED
SCHEMBL21157355 0.86 EED (0.35) EZH2OPRK1EEDRBBP4SUZ12

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
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
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 2816/4885LMNA 2826/4885SMN1; SMN2 4308/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ALDH1A1 2816/4885LMNA 2826/4885SMN1; SMN2 4308/4885

“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.