SCHEMBL21156113

SCHEMBL21156113

CCOC(=O)c1cc2cc(-c3nccs3)cn2c(C(C)O)c1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RECQL P46063 1/20 0.37
KCNB1 Q14721 6/20 0.37
CHEK2 O96017 1/20 0.35
KCNA5 P22460 1/20 0.34
PKM P14618 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
TSHR P16473 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
SMPD3 Q9NY59 1/20 0.32

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
SCHEMBL21113193 0.84 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL19964822 0.74 EED (0.46)
SCHEMBL19964370 0.71 EED (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL21156574 0.71 EED (0.48)
SCHEMBL28886576 0.70 EED (0.32)
SCHEMBL21156112 0.70 UCHL1 (0.34) KDM4EBAZ2BBAZ2ATSHRGAA
SCHEMBL21113111 0.69 EED (0.45) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL21156141 0.67 TSHR (0.40) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL5324303 0.66 RARA (0.52) KDM4EALDH1A1HPGDPKMTSHR
SCHEMBL21113440 0.66 RAB9A (0.38) KDM4EALDH1A1HPGDHSD17B10RECQL

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 2 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-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 KDM4E 52/4885ALDH1A1 2816/4885HPGD 2872/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 KDM4E 52/4885ALDH1A1 2816/4885HPGD 2872/4885

“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.