SCHEMBL17123641

SCHEMBL17123641

CCCC[C@@H](CCOC(=O)C(C)C)Nc1nc(NC(=O)C(C)C)ncc1OC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ TLR7 Q9NYK1 11/20 0.38
▸ TLR8 Q9NR97 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL15470279 0.87 TLR7 (0.46) TLR7TLR8KCNH2
SCHEMBL23472393 0.86 TLR7 (0.40) TLR7TLR8KCNH2TRPM8
SCHEMBL20219553 0.78 TLR7 (0.44) TLR7TLR8KCNH2
SCHEMBL15469944 0.75 TLR7 (0.43) TLR7TLR8KCNH2
SCHEMBL19274182 0.75 TLR7 (0.43) TLR7TLR8KCNH2
SCHEMBL23185623 0.75 TLR7 (0.43) TLR7TLR8
SCHEMBL21693478 0.73 TLR7 (0.50) TLR7TLR8KCNH2TRPM8
SCHEMBL21919317 0.72 TLR7 (0.39) TLR7TLR8KCNH2TRPM8
SCHEMBL22825028 0.72 TLR7 (0.43) P2RX3P2RX2TLR7TLR8KCNH2
SCHEMBL20025838 0.72 TLR7 (0.43) P2RX3P2RX2TLR7TLR8KCNH2

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
EP-2903967-B3 ACYLAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-04-15 — — EP disclosed
US-9790191-B2 Substituted acylaminopyrimidines as inducers of alpha interferon production JANSSEN SCIENCES IRELAND UC (IE) 2017-10-17 — — US disclosed
US-9790191-B2 Substituted acylaminopyrimidines as inducers of alpha interferon production JANSSEN SCIENCES IRELAND UC (IE) 2017-10-17 — — US disclosed
US-20150274676-A1 ACYLAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2015-10-01 — — US disclosed
US-20150274676-A1 ACYLAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2015-10-01 — — US 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-20150274676-A1 ACYLAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES DPYD, TYMP, ENTPD5 P2RX3 938/4885P2RX2 779/4885TLR7 171/4885

“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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