SCHEMBL3706784

SCHEMBL3706784

CCCCCNc1nc(N)nc(C)c1Cc1ccc(I)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.72
TLR7 Q9NYK1 18/20 0.71

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
SCHEMBL853068 0.88 TLR7 (0.74) TLR8TLR7
SCHEMBL2850720 0.88 TLR8 (0.72) TLR8TLR7
SCHEMBL2851365 0.88 TLR7 (0.74) TLR8TLR7
SCHEMBL6419789 0.88 TLR8 (0.93) TLR8TLR7
SCHEMBL10310956 0.86 TLR7 (0.71) TLR8TLR7
SCHEMBL3699453 0.86 TLR7 (0.74) TLR8TLR7
SCHEMBL905197 0.85 TLR7 (0.80) TLR8TLR7
SCHEMBL2893553 0.85 TLR8 (0.67) TLR8TLR7
SCHEMBL21667553 0.84 TLR8 (0.77) TLR8TLR7
Hydrochloric Acid SCHEMBL2896839 0.84 TLR7 (0.78) TLR8TLR7

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 3 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
US-20120122867-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES ASTRAZENECA UK LIMITED (GB) 2012-05-17 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 (2 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-20120122867-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES TYMS, TYMP, DPYD TLR8 4294/4885TLR7 2123/4885
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases TYMS, TYMP, DPYD TLR8 4294/4885TLR7 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.