SCHEMBL23147771

SCHEMBL23147771

CC1(C)CCC(NC(=O)c2cc3c(C(F)(F)F)ccnc3[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 8/20 0.48
▸ CD38 P28907 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.39
▸ WNT1 P04628 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ MLLT1 Q03111 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ HASPIN Q8TF76 1/20 0.38
▸ SETD2 Q9BYW2 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ HTR1A P08908 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
SCHEMBL23147945 0.87 NUDT1 (0.51) NUDT1TAS1R3TAS1R1TAS1R2TBK1
SCHEMBL23147609 0.85 NUDT1 (0.48) NUDT1TAS1R3TAS1R1TAS1R2TBK1
SCHEMBL23147659 0.84 NUDT1 (0.50) NUDT1CD38TBK1CCNCCDK8
SCHEMBL29722076 0.84 NUDT1 (0.55) NUDT1CD38TBK1MLLT1CCNC
SCHEMBL23147750 0.84 NUDT1 (0.55) NUDT1CD38TBK1MLLT1CCNC
SCHEMBL29721944 0.84 NUDT1 (0.50) NUDT1CD38TBK1CCNCCDK8
SCHEMBL23147769 0.83 NUDT1 (0.49) NUDT1CD38TBK1MLLT1CCNC
SCHEMBL29721656 0.83 NUDT1 (0.49) NUDT1CD38TBK1MLLT1CCNC
SCHEMBL23147826 0.83 NUDT1 (0.49) NUDT1CD38TBK1MLLT1CCNC
SCHEMBL23147714 0.82 NUDT1 (0.48) NUDT1CD38TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-01-05 — — US claimed
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 claimed
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 claimed
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 claimed
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
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

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-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS AZI2, AADAC, TPMT NUDT1 711/4885CD38 1514/4885TAS1R3 4050/4885

“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.

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