SCHEMBL22497903

SCHEMBL22497903

O=c1ccc2ncncc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.44
PDE3A Q14432 9/20 0.44
MAPKAPK2 P49137 1/20 0.37
RPS6KA3 P51812 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL30891689 1.00 PDE3B (0.44) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1
SCHEMBL2079505 0.73 EGFR (0.33) EGFR
SCHEMBL29540157 0.73 EGFR (0.33) EGFR
SCHEMBL31093789 0.71 F11 (0.47) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1
SCHEMBL4137137 0.71 F11 (0.47) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1
SCHEMBL23225458 0.70 TDO2 (0.46) PDE3BPDE3AEGFRCA12CA1
SCHEMBL31042178 0.69 DAO (0.53) PDE3BPDE3ACA12CA1CA3
SCHEMBL586351 0.69 DAO (0.53) PDE3BPDE3ACA12CA1CA3
SCHEMBL3983234 0.69 PIN1 (0.48) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL1378724 0.69 MAPKAPK2 (0.42) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4284511-B1 AZAQUINOLINES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2025-07-16 EP claimed
CN-117580829-A Quinoline and azaquinolines as inhibitors of CD38 勃林格英格翰国际有限公司 2024-02-20 CN claimed
CN-113710661-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2021-11-26 CN claimed
WO-2020200291-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2020-10-08 WO claimed
CN-117580829-A Quinoline and azaquinolines as inhibitors of CD38 勃林格英格翰国际有限公司 2024-02-20 CN disclosed
CN-116323570-A Compounds and methods for treating diseases 上海睿跃生物科技有限公司 2023-06-23 CN disclosed
US-20230093099-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2023-03-23 US disclosed
CN-113710661-B Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2022-11-22 CN disclosed
WO-2022068933-A1 COMPOUNDS AND METHODS OF TREATING DISEASES CULLGEN (SHANGHAI) , INC. (CN) 2022-04-07 WO disclosed
CN-113710661-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2021-11-26 CN disclosed
WO-2020200291-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2020-10-08 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 (1 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-20230093099-A1 COMPOUNDS AND METHODS OF TREATING CANCERS TP53, BRCA1, VHL PDE3B 2751/4885PDE3A 3303/4885MAPKAPK2 4213/4885

“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.