SCHEMBL2754261

SCHEMBL2754261

COC(=O)N(c1ccccn1)c1nc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGIR P43119 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL2754259 0.84 HTT (0.42) HTTNPSR1KDM4EALDH1A1MAPT
SCHEMBL20484557 0.83 HTT (0.49) HTTNPSR1KDM4EALDH1A1MAPT
SCHEMBL2754920 0.83 HTT (0.37) HTTNPSR1KDM4EALDH1A1MAPT
SCHEMBL761922 0.72 ALOX15 (0.45) HTTNPSR1KDM4EALDH1A1POLB
SCHEMBL6648818 0.72 HTT (0.43) HTTNPSR1KDM4EALDH1A1MEN1
SCHEMBL29100779 0.71 POLB (0.43) HTTNPSR1KDM4EALDH1A1MAPT
SCHEMBL18378463 0.69 TSHR (0.48) HTTPOLBMEN1KMT2ATP53
SCHEMBL229105 0.68 HTT (0.53) HTTNPSR1KDM4EALDH1A1MAPT
SCHEMBL9069781 0.67 LMNA (0.48) HTTNPSR1KDM4EPOLBMEN1
SCHEMBL935444 0.66 HTT (0.54) HTTNPSR1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178570-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
US-20060293342-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2006-12-28 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-20060293342-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR HTT 3659/4885NPSR1 3854/4885KDM4E 486/4885

“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.