SCHEMBL19964530

SCHEMBL19964530

CCOC(=O)c1cc2c(-c3ccccc3)ccn2c(C(C)=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
KDM4E B2RXH2 6/20 0.46
GAA P10253 6/20 0.46
HPGD P15428 6/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
GLA P06280 2/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
TSHR P16473 3/20 0.43
MAPT P10636 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42

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
SCHEMBL21156134 0.88 KDM4E (0.47) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL19964421 0.87 SMARCA2 (0.51) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL21113331 0.87 SIRT2 (0.44) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL21113365 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL21113045 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EGAAHPGDCYP2C9
SCHEMBL19964974 0.83 KDM4E (0.44) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL19964958 0.82 LMNA (0.45) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL21113121 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL28886633 0.81 JMJD6 (0.47) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL19964413 0.81 KDM4E (0.48) ALDH1A1KDM4EGAAHPGDKMT2A

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 5 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
WO-2018045971-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发有限公司 2018-03-15 WO 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 52/4885GAA 4565/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 ALDH1A1 2816/4885KDM4E 52/4885GAA 4565/4885

“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.