SCHEMBL853483

SCHEMBL853483

CCCCCNc1nc(C)c(Cc2cccc(OCCCN(C)C)c2)c(N)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.62
TLR7 Q9NYK1 10/20 0.54

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
SCHEMBL854017 0.96 DHFR (0.62) DHFRTLR7
SCHEMBL853213 0.89 TLR7 (0.57) DHFRTLR7
SCHEMBL854480 0.87 TLR7 (0.53) DHFRTLR7
SCHEMBL853209 0.86 DHFR (0.59) DHFRTLR7
SCHEMBL3700789 0.85 TLR7 (0.73) DHFRTLR7
SCHEMBL853443 0.85 TLR7 (0.45) DHFRTLR7
SCHEMBL854804 0.85 TLR7 (0.55) DHFRTLR7
SCHEMBL853780 0.84 DHFR (0.58) DHFRTLR7
SCHEMBL19056648 0.84 DHFR (0.55) DHFRTLR7
SCHEMBL853997 0.83 TLR7 (0.52) DHFRTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533978-B2 Pyrimidine derivatives and their use in the treatment of cancer and further diseases SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2017-01-03 US disclosed
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2015-03-19 US disclosed
EP-2432768-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES AstraZeneca AB (SE) 2012-03-28 EP disclosed
WO-2010133885-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES ASTRAZENECA AB (SE) 2010-11-25 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-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases TYMS, TYMP, DPYD DHFR 19/4885TLR7 2123/4885

“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.