SCHEMBL29601645

SCHEMBL29601645

CCCC[C@H](CO)Nc1nc(NC(=O)OCC)nc2c(C)cccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 5/20 0.47
▸ TLR7 Q9NYK1 5/20 0.47
▸ KCNH2 Q12809 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CTNNB1 P35222 2/20 0.38
▸ TCF7L2 Q9NQB0 2/20 0.38
▸ CDK1 P06493 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36

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
SCHEMBL22819485 1.00 TLR8 (0.47) TLR8TLR7KCNH2ALDH1A1HPGD
SCHEMBL29601605 0.80 KCNH2 (0.39) TLR8TLR7KCNH2ALDH1A1HPGD
SCHEMBL22819395 0.80 KCNH2 (0.39) TLR8TLR7KCNH2ALDH1A1HPGD
SCHEMBL28701678 0.80 TLR8 (0.51) TLR8TLR7KCNH2CYP2D6RPS6KB1
SCHEMBL28701677 0.80 TLR8 (0.51) TLR8TLR7KCNH2CYP2D6RPS6KB1
SCHEMBL24719004 0.79 TLR8 (0.69) TLR8TLR7KCNH2CYP2D6
SCHEMBL21325598 0.79 TLR8 (0.69) TLR8TLR7KCNH2CYP2D6
SCHEMBL22819408 0.75 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EGLAPOLB
SCHEMBL24384569 0.72 KCNH2 (0.55) TLR8TLR7KCNH2CYP2D6
SCHEMBL22959029 0.72 KCNH2 (0.55) TLR8TLR7KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324817-A1 QUINAZOLINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UNLMITED COMPANY (IE) 2022-10-13 — — US disclosed
EP-3986871-A1 QUINAZOLINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-04-27 — — EP 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-20220324817-A1 QUINAZOLINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES IFNG, IRF3, CD4 TLR8 26/4885TLR7 7/4885KCNH2 3398/4885

“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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