SCHEMBL26791925

SCHEMBL26791925

CC(C)C(=O)c1cc(-c2ncccn2)nn1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 17/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ JAK2 O60674 2/20 0.33
▸ SYK P43405 2/20 0.33
▸ FLT3 P36888 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
SCHEMBL26659258 0.82 KDM4E (0.49) PHGDHPTPN1
SCHEMBL26797101 0.82 BRD4 (0.40) PHGDHPTPN1JAK2SYKFLT3
SCHEMBL26659381 0.78 CA12 (0.49) PHGDH
SCHEMBL26795535 0.78 CA12 (0.38) PHGDHPTPN1JAK2SYKFLT3
SCHEMBL13044184 0.78 PHGDH (0.63) PHGDHPTPN1
SCHEMBL26785868 0.77 ADORA2A (0.35) PHGDHJAK2SYKFLT3
SCHEMBL26659222 0.75 ALDH1A1 (0.51) —
SCHEMBL8014330 0.73 SMN1; SMN2 (0.43) —
SCHEMBL24630337 0.71 KDM4E (0.36) PHGDH
SCHEMBL20646935 0.69 GRN (0.67) —

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 3 patents. 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
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 — — US disclosed
WO-2023220223-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 — — 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-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS METAP1, SARS1, RTF1 PHGDH 2148/4885PTPN1 2440/4885JAK2 4711/4885

“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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