SCHEMBL21113451

SCHEMBL21113451

CCOC(=O)c1cc2c(Br)ncn2c(Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 3/20 0.38
GAA P10253 3/20 0.38
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.37
MAOB P27338 1/20 0.37
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36

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
SCHEMBL19964719 0.78 KDM4E (0.49) KDM4ENPSR1RXFP1CYP4F2CYP4A11
SCHEMBL19964868 0.75 KDM4E (0.45) KDM4ENPSR1RXFP1CYP4F2CYP4A11
SCHEMBL21113349 0.74 JAK3 (0.38) BAZ2BBAZ2AALDH1A1JAK2JAK3
SCHEMBL19964970 0.74 HTT (0.42) KDM4ECYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL26690222 0.69 KDM4E (0.45) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL26930826 0.68 CYP4F2 (0.46) KDM4ENPSR1CYP4F2CYP4A11BAZ2B
SCHEMBL38664397 0.67 ALDH1A1 (0.46) KDM4ECYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL31495329 0.67 L3MBTL1 (0.46) KDM4ENPSR1ALDH1A1MAPK1NOTUM
SCHEMBL19964413 0.67 KDM4E (0.48) KDM4ENPSR1RXFP1CYP4F2CYP4A11
SCHEMBL31415220 0.66 CYP1A2 (0.41) KDM4EALDH1A1HPGDGAAMAPK1

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 KDM4E 52/4885NPSR1 4482/4885RXFP1 2194/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 KDM4E 52/4885NPSR1 4482/4885RXFP1 2194/4885

“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.