SCHEMBL853400

SCHEMBL853400

COc1ccc(Cc2c(C)nc(N)nc2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 1.00
ALDH1A1 P00352 4/20 0.63
CYP2D6 P10635 1/20 0.63
ATM Q13315 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
HPGD P15428 2/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 2/20 0.55
PLA2G2A P14555 1/20 0.45
TLR7 Q9NYK1 2/20 0.44
CHRM4 P08173 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KLKB1 P03952 1/20 0.43
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
LTA4H P09960 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL12495472 0.91 NPSR1 (0.83) NPSR1ALDH1A1CYP2D6ATMSMN1; SMN2
SCHEMBL29937212 0.84 NPSR1 (0.72) NPSR1ALDH1A1CYP2D6ATMSMN1; SMN2
SCHEMBL854692 0.82 NPSR1 (0.70) NPSR1ALDH1A1CYP2D6ATMSMN1; SMN2
SCHEMBL855005 0.82 NPSR1 (0.69) NPSR1ALDH1A1CYP2D6ATMSMN1; SMN2
SCHEMBL6415745 0.81 NPSR1 (0.68) NPSR1ALDH1A1CYP2D6SMN1; SMN2HPGD
SCHEMBL27868754 0.80 NPSR1 (0.67) NPSR1ALDH1A1CYP2D6ATMSMN1; SMN2
SCHEMBL3705743 0.79 NPSR1 (0.65) NPSR1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL27846923 0.79 NPSR1 (0.64) NPSR1ALDH1A1CYP2D6ATMSMN1; SMN2
SCHEMBL2846939 0.78 NPSR1 (0.64) NPSR1ALDH1A1CYP2D6ATMSMN1; SMN2
SCHEMBL12495497 0.76 SMN1; SMN2 (0.64) NPSR1ALDH1A1CYP2D6ATMSMN1; SMN2

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 2520/4885ALDH1A1 339/4885CYP2D6 393/4885
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases TYMS, TYMP, DPYD NPSR1 2520/4885ALDH1A1 339/4885CYP2D6 393/4885

“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.