SCHEMBL6134319

SCHEMBL6134319

CC(C)n1nc(-c2cnc(NC(=O)OCC(Cl)(Cl)Cl)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.39
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
MERTK Q12866 1/20 0.34
NTRK1 P04629 4/20 0.34
CSNK1D P48730 1/20 0.33
ELANE P08246 1/20 0.33
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.33
CCNA1 P78396 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CMKLR1 Q99788 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6134405 0.87 KDM4E (0.40) ADORA1TP53POLBMERTKAURKA
SCHEMBL6133749 0.83 TP53 (0.44) ADORA1TP53POLBMERTKAURKA
SCHEMBL6135441 0.83 POLB (0.47) ADORA1TP53POLBMERTKNTRK1
SCHEMBL6134592 0.82 ADORA1 (0.47) ADORA1TP53POLBMERTKAURKA
SCHEMBL6134956 0.82 ADORA1 (0.43) ADORA1TP53POLBMERTKNTRK1
SCHEMBL6134588 0.82 ADORA1 (0.48) ADORA1TP53POLBMERTKNTRK1
SCHEMBL6134310 0.82 GAA (0.45) ADORA1TP53MERTKAURKACCNA2
SCHEMBL6134095 0.81 ADORA1 (0.57) ADORA1TP53MERTKNTRK1KDM4E
SCHEMBL6134147 0.80 KDM4E (0.48) ADORA1TP53POLBKDM4ELMNA
SCHEMBL6133427 0.79 LMNA (0.46) ADORA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 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 (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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885TP53 2834/4885POLB 565/4885

“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.