SCHEMBL26659381

SCHEMBL26659381

COC(=O)c1cc(-c2ncccn2)nn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ JMJD6 Q6NYC1 1/20 0.43
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ GRM5 P41594 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ KDM5C P41229 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ KDM3A Q9Y4C1 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MALT1 Q9UDY8 1/20 0.38
▸ PHGDH O43175 6/20 0.38
▸ F2 P00734 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
SCHEMBL26659222 0.84 ALDH1A1 (0.51) CA12CA1CA2CA9JMJD6
SCHEMBL26659258 0.82 KDM4E (0.49) CA12CA1CA2CA9JMJD6
SCHEMBL26797101 0.82 BRD4 (0.40) CA12CA1CA2CA9JMJD6
SCHEMBL4298598 0.78 PHGDH (0.59) CA12CA1CA2CA9PHGDH
SCHEMBL26791925 0.78 PHGDH (0.40) PHGDH
SCHEMBL26795535 0.78 CA12 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL30722873 0.77 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL12278218 0.77 NR4A2 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL69696 0.76 MEN1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL21981561 0.76 CA12 (0.39) CA12CA1CA2CA9JMJD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 — — 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 (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-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS METAP1, SARS1, RTF1 CA12 3302/4885CA1 4669/4885CA2 3559/4885

“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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