SCHEMBL854702

SCHEMBL854702

CCCCCNc1nc(C)c(Cc2ccccc2OCCCN(C)C)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.46
TLR7 Q9NYK1 8/20 0.45
TLR8 Q9NR97 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAD52 P43351 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
TRIM58 Q8NG06 1/20 0.39
DNM2 P50570 3/20 0.39

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
SCHEMBL854401 0.88 TLR7 (0.42) TLR7TLR8MAPT
SCHEMBL854515 0.85 TLR7 (0.52) TLR7TLR8
SCHEMBL3699363 0.85 TLR7 (0.62) TLR7TLR8
SCHEMBL853744 0.84 TLR7 (0.46) TLR7POLBMAPTRAD52BLM
SCHEMBL853443 0.83 TLR7 (0.45) TLR7TLR8DNM2
SCHEMBL19056451 0.83 HRH1 (0.44) HRH1TLR7TLR8
SCHEMBL853213 0.82 TLR7 (0.57) TLR7TLR8
SCHEMBL28873208 0.81 TLR7 (0.55) TLR7TLR8
SCHEMBL853483 0.81 DHFR (0.62) TLR7
SCHEMBL854602 0.79 TLR7 (0.52) TLR7TLR8

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 HRH1 868/4885TLR7 2123/4885TLR8 4294/4885

“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.