SCHEMBL2754259

SCHEMBL2754259

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL2754261 0.84 HTT (0.40) HTTNPSR1TSHRKMT2APOLB
SCHEMBL2754920 0.81 HTT (0.37) HTTNPSR1TSHRKMT2APOLB
SCHEMBL935444 0.80 HTT (0.54) HTTNPSR1TSHRKMT2APOLB
SCHEMBL980972 0.75 L3MBTL1 (0.44) NPSR1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL10855054 0.75 NPSR1 (0.50) HTTNPSR1TSHRKMT2APOLB
SCHEMBL2169266 0.72 HTT (0.41) HTTNPSR1TSHRKMT2APOLB
Hydrochloric Acid SCHEMBL10541586 0.71 NPSR1 (0.40) HTTNPSR1TSHRKMT2APOLB
SCHEMBL2754260 0.71 POLB (0.41) HTTNPSR1TSHRKMT2APOLB
SCHEMBL7904906 0.69 KMT2A (0.54) HTTNPSR1TSHRKMT2APOLB
SCHEMBL29009669 0.69 HTT (0.44) HTTNPSR1TSHRKMT2APOLB

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 3854/4885TSHR 4226/4885

“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.