SCHEMBL22554070

SCHEMBL22554070

O=C(O)c1cc2c(Br)ccnc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.44
PRKCI P41743 1/20 0.43
NUDT1 P36639 4/20 0.41
IDO1 P14902 3/20 0.40
TDO2 P48775 3/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
BRAF P15056 2/20 0.38
TNNI3K Q59H18 1/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 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
SCHEMBL30731002 1.00 DAO (0.44) DAOPRKCINUDT1IDO1TDO2
SCHEMBL22554309 0.83 ABL1 (0.44) DAOPRKCINUDT1
SCHEMBL30731054 0.83 ABL1 (0.44) DAOPRKCINUDT1
SCHEMBL7976646 0.81 DAO (0.45) DAONUDT1IDO1TDO2KDM4E
SCHEMBL22554098 0.81 DAO (0.45) DAONUDT1CCNKCDK12
SCHEMBL23147745 0.80 NUDT1 (0.44) DAONUDT1IDO1TDO2KDM4E
SCHEMBL20839678 0.80 GRIN1 (0.46) DAOPRKCINUDT1IDO1TDO2
SCHEMBL3008612 0.80 IDO1 (0.49) DAONUDT1IDO1TDO2KDM4E
SCHEMBL29722004 0.80 IDO1 (0.49) DAONUDT1IDO1TDO2KDM4E
SCHEMBL29721792 0.80 NUDT1 (0.44) DAONUDT1IDO1TDO2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916241-A Spiro compounds 阿斯利康(瑞典)有限公司 2024-04-19 CN disclosed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-01-05 US disclosed
EP-4034108-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 EP disclosed
CN-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 CN disclosed
WO-2021062316-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
WO-2021062316-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 CN disclosed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 EP disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 US disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 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 (3 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C DAO 3277/4885PRKCI 749/4885NUDT1 2148/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C DAO 3277/4885PRKCI 749/4885NUDT1 2148/4885
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS AZI2, AADAC, TPMT DAO 778/4885PRKCI 3614/4885NUDT1 711/4885

“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.