SCHEMBL488833

SCHEMBL488833

Nc1ccc(-c2ccc(OCc3ccccc3Cl)cn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 1/20 0.48
NR4A2 P43354 2/20 0.46
MAOB P27338 3/20 0.45
MAOA P21397 1/20 0.45
ALKBH1 Q13686 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LTA4H P09960 1/20 0.43
ALOX5AP P20292 2/20 0.41
PIK3CD O00329 1/20 0.41
FEN1 P39748 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL488210 0.74 MET (0.57) INPPL1PIK3CDCSF1R
SCHEMBL30453912 0.74 MET (0.57) INPPL1PIK3CDCSF1R
SCHEMBL17201425 0.73 NR4A2 (0.44) NR4A2MAOBMAOAALKBH1MEN1
SCHEMBL15774570 0.72 MAOB (0.54) NR4A2MAOBMAOAALKBH1MEN1
SCHEMBL7170719 0.72 NR4A2 (0.71) NR4A2MAOBMAOAMEN1KMT2A
SCHEMBL15774371 0.71 NR4A2 (0.51) NR4A2MAOBMAOAALKBH1MEN1
SCHEMBL11093923 0.71 MAOB (0.69) NR4A2MAOBMAOAMEN1KMT2A
SCHEMBL15774601 0.71 NR4A2 (0.45) NR4A2MAOBMAOAALKBH1MEN1
SCHEMBL15774552 0.69 NR4A2 (0.52) NR4A2MAOBMAOAALKBH1MEN1
SCHEMBL2648020 0.68 MAOB (0.61) MAOBMAOAALOX5MAPTGAA

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-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 INPPL1 1551/4885NR4A2 2030/4885MAOB 3044/4885

“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.