SCHEMBL6133862

SCHEMBL6133862

CC(C)n1nc(-c2cnc(NC(=O)c3cccnc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
EPHX2 P34913 2/20 0.43
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
TMIGD3 P0DMS9 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
F2 P00734 1/20 0.40
F12 P00748 1/20 0.40

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
SCHEMBL6134310 0.93 GAA (0.45) KDM4EALDH1A1EPHX2ADORA3HPGD
SCHEMBL6134129 0.87 ADORA2A (0.48) LMNAKDM4EALDH1A1ADORA3TMIGD3
SCHEMBL6135802 0.86 HTT (0.48) LMNAKDM4EALDH1A1POLBCSNK1D
SCHEMBL6538445 0.86 CSNK1D (0.47) LMNAKDM4EALDH1A1POLBEPHX2
SCHEMBL6134147 0.86 KDM4E (0.48) LMNAKDM4EALDH1A1POLBADORA3
SCHEMBL6134592 0.86 ADORA1 (0.47) LMNAALDH1A1POLBADORA3TP53
SCHEMBL6134239 0.85 KDM4E (0.51) LMNAKDM4EALDH1A1ADORA3TMIGD3
SCHEMBL6133600 0.85 GRM5 (0.43) EPHX2ADORA3TP53HDAC1
SCHEMBL6133749 0.85 TP53 (0.44) LMNAKDM4EALDH1A1POLBADORA3
SCHEMBL6134405 0.83 KDM4E (0.40) LMNAKDM4EALDH1A1POLBHSD17B10

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 LMNA 3549/4885KDM4E 3364/4885ALDH1A1 801/4885

“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.