SCHEMBL855005

SCHEMBL855005

Cc1nc(N)nc(Cl)c1Cc1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
TLR7 Q9NYK1 4/20 0.43
DHFR P00374 1/20 0.41
MET P08581 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TLR8 Q9NR97 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
ATM Q13315 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PLA2G2A P14555 1/20 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
SCHEMBL6415745 0.84 NPSR1 (0.68) NPSR1SMN1; SMN2KDM4EHPGDTLR7
SCHEMBL853400 0.82 NPSR1 (1.00) NPSR1SMN1; SMN2KDM4EHPGDTLR7
SCHEMBL854540 0.81 NPSR1 (0.47) NPSR1TLR7METTHRATHRB
SCHEMBL2846939 0.81 NPSR1 (0.64) NPSR1SMN1; SMN2KDM4EHPGDTLR7
SCHEMBL12495497 0.78 SMN1; SMN2 (0.64) NPSR1SMN1; SMN2KDM4EHPGDDHFR
SCHEMBL2854273 0.75 NPSR1 (0.50) NPSR1SMN1; SMN2KDM4EHPGDTLR7
SCHEMBL12495806 0.74 SMN1; SMN2 (0.63) NPSR1SMN1; SMN2KDM4EHPGDDHFR
SCHEMBL3705743 0.74 NPSR1 (0.65) NPSR1SMN1; SMN2KDM4EHPGDTLR7
SCHEMBL2848526 0.73 NPSR1 (0.48) NPSR1TLR7DHFRTLR8ALDH1A1
SCHEMBL26050496 0.73 NPSR1 (0.48) NPSR1SMN1; SMN2KDM4EHPGDTLR7

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 6 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
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 NPSR1 2520/4885SMN1; SMN2 1637/4885KDM4E 2382/4885
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases TYMS, TYMP, DPYD NPSR1 2520/4885SMN1; SMN2 1637/4885KDM4E 2382/4885

“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.