SCHEMBL18341116

SCHEMBL18341116

O=C(O)c1nc2cccc(Br)n2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NUDT1 P36639 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ HTT P42858 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL23754204 0.77 ADORA3 (0.49) KMT2ATSHRHTT
SCHEMBL14736601 0.76 PDE10A (0.42) SMN1; SMN2NUDT1KMT2AMEN1TDP1
SCHEMBL18366715 0.76 KDM4E (0.46) SMN1; SMN2KMT2AKDM4EHTT
SCHEMBL25310876 0.76 JAK1 (0.48) AHRJAK1
SCHEMBL23754239 0.74 SMN1; SMN2 (0.46) AHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL3303841 0.74 AHR (0.58) AHRNUDT1CYP11B2
SCHEMBL3262347 0.72 JAK2 (0.61) AHRSMN1; SMN2JAK1
SCHEMBL13457590 0.72 AHR (0.56) AHRNUDT1CYP11B2
SCHEMBL2185953 0.71 EGLN2 (0.57) AHRKDM4EHTTJAK1
SCHEMBL21807360 0.71 AHR (0.54) AHRSMN1; SMN2NUDT1TSHRCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
WO-2021161084-A1 N-(4-FLUOROPHENYL)-5-PHENYL-[1,2,4] TRIAZOLO [1,5-A] PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND THEIR SYNTHESIS THEREOF NINGEGOWDA RAGHU (IN) 2021-08-19 — — WO disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 — — US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 — — US disclosed
EP-3313828-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 — — EP disclosed
WO-2016210234-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 — — 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 (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-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX AHR 4232/4885SMN1; SMN2 1991/4885NUDT1 2434/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX AHR 4275/4885SMN1; SMN2 2007/4885NUDT1 2412/4885

“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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