SCHEMBL3890403

SCHEMBL3890403

O=C(O)c1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.83
TP53 P04637 3/20 0.83
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
GBA1 P04062 1/20 0.73
ABCG2 Q9UNQ0 2/20 0.67
CYP1A2 P05177 3/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2D6 P10635 3/20 0.63
CYP2C19 P33261 3/20 0.63
ALDH1A1 P00352 3/20 0.63
CYP2C9 P11712 2/20 0.63
USP2 O75604 1/20 0.63
LMNA P02545 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
L3MBTL1 Q9Y468 3/20 0.62
PDE5A O76074 3/20 0.57
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL5532972 0.90 MAPT (0.69) MAPTTP53MEN1KMT2AGBA1
SCHEMBL13945461 0.84 MEN1 (0.97) MAPTTP53MEN1KMT2AABCG2
SCHEMBL13945465 0.84 MEN1 (0.82) MAPTTP53MEN1KMT2AABCG2
SCHEMBL8236002 0.81 KMT2A (0.67) MAPTTP53MEN1KMT2AABCG2
SCHEMBL7280956 0.80 ABCG2 (1.00) MEN1KMT2AABCG2ALDH1A1LMNA
SCHEMBL5526966 0.79 MEN1 (0.82) MAPTTP53MEN1KMT2AGBA1
SCHEMBL413342 0.78 CYP1A2 (1.00) MAPTTP53MEN1KMT2AGBA1
SCHEMBL1083771 0.75 MEN1 (0.98) MAPTTP53MEN1KMT2AABCG2
SCHEMBL10729618 0.74 TSPO (0.58) MAPTTP53MEN1KMT2AGBA1
SCHEMBL4090985 0.74 ABCG2 (0.71) MAPTTP53MEN1KMT2AGBA1

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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 MAPT 2323/4885TP53 1019/4885MEN1 3968/4885

“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.