SCHEMBL21156554

SCHEMBL21156554

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3ccc(CN4CCOCC4)cc3)cn12)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
ENPP2 Q13822 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
STAT3 P40763 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADAMTS4 O75173 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL21251228 0.91 CNR2 (0.38) SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL21157291 0.88 EED (0.43) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL21157283 0.88 ALOX15 (0.41) SMN1; SMN2LMNARAB9AMAPTTSHR
SCHEMBL21113204 0.87 RAB9A (0.42) SMN1; SMN2LMNARAB9AMAPTNPC1
SCHEMBL21156531 0.86 ALDH1A1 (0.40) SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL21156593 0.86 EZH2 (0.38) SMN1; SMN2LMNAMAPK1RAB9AMAPT
SCHEMBL21156559 0.84 EED (0.50) HRH3
SCHEMBL19964426 0.84 NPC1 (0.41) SMN1; SMN2LMNAMAPK1MAPTNPC1
SCHEMBL21157327 0.84 PRKCZ (0.42) SMN1; SMN2LMNARAB9AMAPTNPC1
SCHEMBL21156563 0.82 ALDH1A1 (0.35) SMN1; SMN2LMNAMAPK1RAB9ANPC1

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 HRH3 1167/4885ENPP2 1548/4885SMN1; SMN2 4308/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 HRH3 1167/4885ENPP2 1548/4885SMN1; 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.