SCHEMBL854527

SCHEMBL854527

Cc1nc(N)nc(Br)c1Cc1ccc(OCCCN(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.49
HRH3 Q9Y5N1 3/20 0.48
NPSR1 Q6W5P4 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
TLR8 Q9NR97 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LTA4H P09960 1/20 0.43
HPGD P15428 1/20 0.42
DHFR P00374 1/20 0.42
LSS P48449 1/20 0.41

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
SCHEMBL3705743 0.86 NPSR1 (0.65) TLR7HRH3NPSR1KEAP1NFE2L2
Hydrochloric Acid SCHEMBL855557 0.82 NPSR1 (0.60) TLR7HRH3NPSR1TLR8KDM4E
SCHEMBL3697757 0.79 TLR7 (0.78) TLR7TLR8
SCHEMBL3699620 0.74 TLR7 (0.76) TLR7TLR8
SCHEMBL854540 0.74 NPSR1 (0.47) TLR7NPSR1TLR8ALDH1A1
SCHEMBL853213 0.72 TLR7 (0.57) TLR7TLR8DHFR
SCHEMBL110784 0.71 KEAP1 (0.83) HRH3KEAP1NFE2L2KDM4ESMN1; SMN2
SCHEMBL19056404 0.71 TLR7 (0.44) TLR7HRH3TLR8KDM4ESMN1; SMN2
SCHEMBL9671156 0.69 KDM4E (0.83) HRH3KEAP1NFE2L2KDM4ESMN1; SMN2
SCHEMBL853960 0.68 NPSR1 (0.51) TLR7NPSR1TLR8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432768-B1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-07-05 EP disclosed
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
CN-102482233-A Novel pyrimidine derivatives and their use in the treatment of cancer and other diseases ASTRAZENECA AB SE 2012-05-30 CN 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
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 (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 TLR7 2123/4885HRH3 724/4885NPSR1 2520/4885
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases TYMS, TYMP, DPYD TLR7 2123/4885HRH3 724/4885NPSR1 2520/4885

“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.