SCHEMBL7256732

SCHEMBL7256732

COc1ccc(-c2nc3[nH]nc(N)c3cc2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ACHE P22303 3/20 0.42
▸ GSK3A P49840 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PDE1A P54750 1/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ ADK P55263 1/20 0.40

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
SCHEMBL7257484 0.85 KDM4E (0.46) KDM4EDYRK1AADORA2AKMT2AMEN1
SCHEMBL23700852 0.84 KDM4E (0.44) KDM4EDYRK1AADORA2AKMT2AMEN1
SCHEMBL7256564 0.82 GSK3A (0.58) GSK3AGSK3BCDK2
SCHEMBL7257406 0.81 GSK3A (0.55) KDM4EDYRK1AADORA2AKMT2AGSK3A
SCHEMBL12692214 0.81 ADORA1 (0.49) KDM4EDYRK1AADORA2AKMT2AMEN1
SCHEMBL2090637 0.71 NCF1 (0.47) KDM4EKMT2AMEN1PDE3BPDE3A
SCHEMBL10333750 0.71 PDE3B (0.54) KDM4EKMT2AMEN1CDK2PDE3B
SCHEMBL6116321 0.70 BTK (0.69) DYRK1AACHE
SCHEMBL21312581 0.70 ADORA1 (0.47) KDM4EDYRK1AADORA2AKMT2AMEN1
SCHEMBL31721629 0.70 HPGD (0.46) DYRK1AKMT2AMEN1

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-11773121-B2 Antiviral compounds VIROVAX LLC (US) 2023-10-03 — — US disclosed
US-20210238210-A1 ANTIVIRAL COMPOUNDS VIROVAX LLC 2021-08-05 — — US disclosed
WO-2003068773-A1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 — — 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-20210238210-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, SARS1, ZC3HAV1L KDM4E 2111/4885DYRK1A 3332/4885ADORA2A 1925/4885
US-11773121-B2 Antiviral compounds ZC3HAV1, SARS1, ZC3HAV1L KDM4E 2111/4885DYRK1A 3332/4885ADORA2A 1925/4885

“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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