SCHEMBL21113331

SCHEMBL21113331

CCOC(=O)c1cc2c(-c3ccc(N(C)C)cc3)ccn2c(C(C)=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.44
SIRT1 Q96EB6 4/20 0.44
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKCI P41743 1/20 0.43
PRKCZ Q05513 1/20 0.43
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL21113365 0.89 ALDH1A1 (0.37) BAZ2BBAZ2ARAB9AMEN1KMT2A
SCHEMBL19964530 0.87 ALDH1A1 (0.46) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL21156134 0.86 KDM4E (0.47) RAB9AMEN1KMT2AJAK2JAK3
SCHEMBL21342364 0.83 EZH2 (0.45) BAZ2BRAB9AMEN1KMT2AALDH1A1
SCHEMBL21113045 0.81 ALDH1A1 (0.40) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL19964958 0.81 LMNA (0.45) SIRT2SIRT1BAZ2BBAZ2AMEN1
SCHEMBL19964421 0.79 SMARCA2 (0.51) BAZ2BBAZ2AKMT2AALDH1A1MAPT
SCHEMBL19964974 0.79 KDM4E (0.44) BAZ2BBAZ2ARAB9AMEN1KMT2A
SCHEMBL21156589 0.78 SIRT2 (0.35) SIRT2SIRT1RAB9AMEN1KMT2A
SCHEMBL19964413 0.77 KDM4E (0.48) RAB9AKMT2AALDH1A1MAPTLMNA

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
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

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 SIRT2 2042/4885SIRT1 821/4885BAZ2B 15/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 SIRT2 2042/4885SIRT1 821/4885BAZ2B 15/4885

“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.