SCHEMBL2179558

SCHEMBL2179558

CCN(CC)CCCNC(=O)c1nnc2c(n1)c(=O)n(C)c(=O)n2Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
KLK7 P49862 1/20 0.41
GAA P10253 3/20 0.41
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2182494 0.89 MAPT (0.46) MAPTTP53MEN1KMT2AALOX5
SCHEMBL2182004 0.85 EGFR (0.41) MAPTTP53ALDH1A1HPGDGAA
SCHEMBL2182345 0.85 ALDH1A1 (0.42) MAPTTP53KMT2AKDM4EALDH1A1
SCHEMBL2184193 0.85 HIF1A (0.40) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL2180058 0.84 TP53 (0.45) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL2180964 0.84 SMN1; SMN2 (0.41) MAPTALOX5KDM4EALDH1A1HPGD
SCHEMBL2181482 0.84 SMN1; SMN2 (0.53) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL2183363 0.83 MAPT (0.41) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL2182970 0.83 NCOA1 (0.45) KDM4EALDH1A1HPGDHSD17B10HIF1A
SCHEMBL2179044 0.82 HIF1A (0.42) MAPTALDH1A1HPGDGAAHIF1A

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR MAPT 3896/4885TP53 64/4885MEN1 2044/4885

“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.