SCHEMBL21113341

SCHEMBL21113341

CCOC(=O)c1cc2cncn2c(C(C)=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 5/20 0.39
GAA P10253 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
TBXAS1 P24557 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 4/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 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
SCHEMBL19964970 0.83 HTT (0.42) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL28886464 0.82 IDO1 (0.34) ALDH1A1KDM4EGAATBXAS1MEN1
SCHEMBL21113313 0.80 MMP2 (0.46) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL19964785 0.77 HTT (0.50) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL19964328 0.76 LMNA (0.39) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL19964768 0.76 BAZ2B (0.43) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL19964897 0.76 CASP1 (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL21113150 0.76 EED (0.37) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL21113259 0.75 RAB9A (0.48) ALDH1A1KDM4EGAAHPGDNPC1
SCHEMBL18137441 0.75 CYP2C9 (0.41) ALDH1A1KDM4EGAAPOLBTBXAS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790160-B Pyrido five-membered aromatic ring compound, preparation method and application thereof 上海海和药物研究开发股份有限公司 2022-11-15 CN 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
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.