SCHEMBL13975904

SCHEMBL13975904

CCC[C@@H](CO)Nc1nc(N)nc2cc(C(=O)OC)ccc12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.61
▸ DRD1 P21728 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ ADORA1 P30542 1/20 0.61
▸ KCNH2 Q12809 9/20 0.59
▸ TLR8 Q9NR97 7/20 0.55
▸ TLR7 Q9NYK1 6/20 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
SCHEMBL15502400 1.00 CYP2D6 (0.61) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL24384588 0.94 TLR8 (0.65) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL22826036 0.94 TLR8 (0.65) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL29492937 0.94 TLR8 (0.65) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL22805623 0.83 TLR8 (0.71) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL22806058 0.82 TLR8 (0.66) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL13975545 0.82 KCNH2 (0.84) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL19722979 0.82 KCNH2 (0.84) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL13975833 0.81 KCNH2 (0.65) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL13975710 0.81 KCNH2 (0.85) CYP2D6DRD1HTR2AADORA1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709989-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2017-12-20 — — EP 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-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 CYP2D6 2110/4885DRD1 2335/4885HTR2A 714/4885

“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.

Send feedback