SCHEMBL9885994

SCHEMBL9885994

c1ccc(-c2cnc3cccc(-c4ccccc4)c3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.54
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PDGFRB P09619 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
TOP1 P11387 1/20 0.47
TLR9 Q9NR96 1/20 0.46
BCHE P06276 2/20 0.46
PARP1 P09874 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL23946379 0.86 TOP1 (0.60) METRAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL13019019 0.81 NPC1 (0.53) RAB9ANPC1SMN1; SMN2PDGFRBKDR
SCHEMBL31353303 0.81 RAB9A (0.47) RAB9ANPC1SMN1; SMN2PDGFRBKDR
SCHEMBL28221938 0.81 NPC1 (0.60) RAB9ANPC1SMN1; SMN2PDGFRBKDR
SCHEMBL8678988 0.80 BCHE (0.45) RAB9ANPC1SMN1; SMN2PDGFRBKDR
SCHEMBL11987296 0.80 ATR (0.47) METRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13078957 0.79 RAB9A (0.44) RAB9ANPC1SMN1; SMN2PDGFRBKDR
SCHEMBL23946344 0.77 TOP1 (0.54) METRAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL25037990 0.77 MET (0.52) METRAB9ANPC1TOP1MAPT
SCHEMBL8677705 0.77 TLR9 (0.45) RAB9ANPC1SMN1; SMN2PDGFRBKDR

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-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 MET 1185/4885RAB9A 434/4885NPC1 4739/4885

“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.