SCHEMBL21113232

SCHEMBL21113232

CCOC(=O)c1cc2cc(-c3cnn(C)c3)cn2c(C(C)=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
BRD4 O60885 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 7/20 0.36
GAA P10253 6/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 4/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
GLA P06280 3/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
JMJD6 Q6NYC1 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL21113246 0.83 BAZ2B (0.38) BAZ2BBAZ2AKDM4EALDH1A1GAA
SCHEMBL19964897 0.82 CASP1 (0.45) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL21113224 0.82 ALDH1A1 (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL21113208 0.82 JMJD6 (0.47) BAZ2BBAZ2AKDM4EALDH1A1GAA
SCHEMBL21113259 0.81 RAB9A (0.48) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL21113313 0.81 MMP2 (0.46) BAZ2BBAZ2AKDM4EALDH1A1GAA
SCHEMBL21113225 0.81 EED (0.39) BRD4BAZ2BBAZ2AKDM4EALDH1A1
SCHEMBL21113282 0.80 BAZ2B (0.37) BAZ2BBAZ2AKDM4EALDH1A1GAA
SCHEMBL21113302 0.80 RAB9A (0.39) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL21113459 0.80 ALDH1A1 (0.37) BAZ2BBAZ2AKDM4EALDH1A1GAA

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
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
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 PIK3CD 1411/4885BRD4 151/4885BAZ2B 15/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 PIK3CD 1411/4885BRD4 151/4885BAZ2B 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.