SCHEMBL26797101

SCHEMBL26797101

CC(=O)c1cc(-c2ncccn2)nn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.40
▸ BAZ2A Q9UIF9 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PHGDH O43175 8/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ KDR P35968 1/20 0.35

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 0.86 KDM4E (0.49) PHGDHCA12CA1CA2CA9
SCHEMBL26795535 0.82 CA12 (0.38) PHGDHALDH1A1JAK2CA12CA1
SCHEMBL26659381 0.82 CA12 (0.49) MEN1KMT2APHGDHALDH1A1CA12
SCHEMBL26791925 0.82 PHGDH (0.40) PHGDHJAK2PTPN1FLT3SYK
SCHEMBL26659222 0.79 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL13078329 0.76 PHGDH (0.59) PHGDH
SCHEMBL12278080 0.74 CYP2A6 (0.49) PHGDHALDH1A1ALKKDM4E
SCHEMBL12011418 0.74 MEN1 (0.42) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL31493114 0.72 KDM4E (0.39) BAZ2BMEN1KMT2APHGDHTYRO3
SCHEMBL1312822 0.71 KDM4E (0.46) BAZ2BMEN1KMT2AALDH1A1KDM4E

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 BRD4 3434/4885BRD2 4036/4885BRD3 4011/4885

“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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