SCHEMBL4535279

SCHEMBL4535279

CC(CO)Nc1nc(N)nc2cc(Br)ccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.48
▸ TLR8 Q9NR97 2/20 0.47
▸ TLR7 Q9NYK1 1/20 0.47
▸ APP P05067 3/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.42
▸ EGFR P00533 1/20 0.41

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
SCHEMBL23500961 1.00 KCNH2 (0.48) KCNH2TLR8TLR7APPCYP2D6
SCHEMBL29653710 1.00 KCNH2 (0.48) KCNH2TLR8TLR7APPCYP2D6
SCHEMBL23500413 0.86 KCNH2 (0.56) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL23500416 0.86 KCNH2 (0.56) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL29653618 0.86 KCNH2 (0.56) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL23514188 0.85 EGFR (0.45) KCNH2TLR8TLR7APPCYP2D6
SCHEMBL29653642 0.85 EGFR (0.45) KCNH2TLR8TLR7APPCYP2D6
SCHEMBL29653805 0.85 EGFR (0.45) KCNH2TLR8TLR7APPCYP2D6
SCHEMBL23513934 0.85 EGFR (0.45) KCNH2TLR8TLR7APPCYP2D6
SCHEMBL22806213 0.82 TLR8 (0.73) KCNH2TLR8TLR7CYP2D6DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555565-B Nitrogen-containing heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-03-05 — — CN disclosed
CN-114555565-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-05-27 — — CN disclosed
WO-2021114691-A1 NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-06-17 — — WO disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 — — EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 — — US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 — — 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 KCNH2 3854/4885TLR8 3037/4885TLR7 2015/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 KCNH2 3854/4885TLR8 3037/4885TLR7 2015/4885

“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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