SCHEMBL21113045

SCHEMBL21113045

CCOC(=O)c1cc2c(-c3ccc(N)nc3)ccn2c(C(C)=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 7/20 0.40
GAA P10253 6/20 0.40
HPGD P15428 6/20 0.40
GLA P06280 2/20 0.40
RAB9A P51151 8/20 0.39
NPC1 O15118 7/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHEK2 O96017 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
HSD17B10 Q99714 5/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 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
SCHEMBL19964530 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL21156134 0.82 KDM4E (0.47) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL21113302 0.82 RAB9A (0.39) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL21113331 0.81 SIRT2 (0.44) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL19964717 0.79 EZH2 (0.39) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL21342364 0.79 EZH2 (0.45) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL21342276 0.79 CDK5 (0.42) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL19964975 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL19964421 0.78 SMARCA2 (0.51) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL19964974 0.78 KDM4E (0.44) ALDH1A1KDM4EGAAHPGDGLA

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 6 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
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
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 2816/4885KDM4E 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.