SCHEMBL19964970

SCHEMBL19964970

CCOC(=O)c1cc2cncn2c(Cl)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
CASP1 P29466 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TBXAS1 P24557 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOTUM Q6P988 1/20 0.38
TSHR P16473 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL21113341 0.83 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL18137409 0.77 L3MBTL1 (0.43) HTTMAPK1KDM4EKMT2ASMN1; SMN2
SCHEMBL18137441 0.76 CYP2C9 (0.41) HTTMAPK1BAZ2BBAZ2AALDH1A1
SCHEMBL18137563 0.74 TBXAS1 (0.40) HTTMAPK1BAZ2BBAZ2AALDH1A1
SCHEMBL18137446 0.74 CYP2C9 (0.40) HTTMAPK1ALDH1A1KDM4EGAA
SCHEMBL21113451 0.74 KDM4E (0.40) MAPK1BAZ2BBAZ2ACASP1ALDH1A1
SCHEMBL18137685 0.74 CYP2C19 (0.40) HTTMAPK1ALDH1A1GAAKMT2A
SCHEMBL22445945 0.72 CYP3A4 (0.44) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL22445878 0.72 CYP2C19 (0.40) BAZ2BBAZ2AALDH1A1HPGDKDM4E
SCHEMBL18137426 0.71 GABRA1 (0.42) HTTALDH1A1HPGDKMT2ASMN1; SMN2

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
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
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 HTT 4433/4885MAPK1 869/4885BAZ2B 15/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 HTT 4433/4885MAPK1 869/4885BAZ2B 15/4885

“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.