SCHEMBL21113504

SCHEMBL21113504

C=C(c1c(C)c(C(=O)OC(C)C)cc2c(-c3ccccc3)ccn12)N1CCC(N(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.36
EGFR P00533 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDYL Q9Y232 1/20 0.33
CDY1; CDY1B Q9Y6F8 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.32
PARP1 P09874 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
AVPR2 P30518 2/20 0.31
MAP4K4 O95819 1/20 0.31
AVPR1A P37288 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL21113419 0.89 EZH2 (0.38) EZH2L3MBTL1CDYLCDY1; CDY1BL3MBTL3
SCHEMBL19964532 0.86 EZH2 (0.44) EZH2ALDH1A1PDCD1CD274KDM4E
SCHEMBL21113295 0.85 EZH2 (0.36) EZH2EGFRL3MBTL3
SCHEMBL19964873 0.83 EED (0.38) EZH2EGFRSLC6A2SLC6A4SLC6A3
SCHEMBL21113505 0.81 EGFR (0.36) EGFRALDH1A1MAPTNPSR1AVPR2
SCHEMBL21113257 0.80 EZH2 (0.46) EZH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL21113051 0.79 EZH2 (0.46) EZH2ALDH1A1MAPTKDM4EMEN1
SCHEMBL21157376 0.78 EZH2 (0.43) EZH2ALDH1A1MAPTL3MBTL1
SCHEMBL21113443 0.77 EZH2 (0.45) EZH2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21156135 0.77 EZH2 (0.45) EZH2ALDH1A1MAPTL3MBTL1KDM4E

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
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
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 EZH2 1/4885EGFR 1774/4885ALDH1A1 2816/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 EZH2 1/4885EGFR 1774/4885ALDH1A1 2816/4885

“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.