SCHEMBL13975892

SCHEMBL13975892

CCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 14/20 1.00
▸ TLR8 Q9NR97 4/20 0.59
▸ CYP2D6 P10635 2/20 0.57
▸ DRD1 P21728 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ ADORA1 P30542 1/20 0.55
▸ TLR7 Q9NYK1 2/20 0.55

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
SCHEMBL13975716 0.93 KCNH2 (1.00) KCNH2TLR8TLR7
SCHEMBL22958985 0.93 KCNH2 (1.00) KCNH2TLR8TLR7
SCHEMBL15502379 0.92 KCNH2 (0.84) KCNH2TLR8CYP2D6TLR7
SCHEMBL13975906 0.89 KCNH2 (0.80) KCNH2TLR8TLR7
SCHEMBL19722983 0.87 KCNH2 (1.00) KCNH2TLR8CYP2D6DRD1HTR2A
SCHEMBL15502428 0.87 KCNH2 (1.00) KCNH2TLR8CYP2D6DRD1HTR2A
SCHEMBL15502389 0.86 KCNH2 (0.75) KCNH2TLR8CYP2D6DRD1HTR2A
SCHEMBL24384587 0.85 KCNH2 (0.85) KCNH2TLR8TLR7
SCHEMBL13975908 0.85 KCNH2 (0.85) KCNH2TLR8TLR7
SCHEMBL22958997 0.85 KCNH2 (0.85) KCNH2TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916575-B2 Quinazoline derivatives for the treatment of viral infections and further diseases JANSSEN R&D IRELAND (IE) 2014-12-23 — — US disclosed
US-8916575-B2 Quinazoline derivatives for the treatment of viral infections and further diseases JANSSEN R&D IRELAND (IE) 2014-12-23 — — US disclosed
US-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2014-03-13 — — US disclosed
US-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2014-03-13 — — US disclosed
WO-2012156498-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2012-11-22 — — 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-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES TLR3, TLR5, TLR4 KCNH2 2625/4885TLR8 9/4885CYP2D6 2110/4885

“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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