SCHEMBL5480155

SCHEMBL5480155

COc1ccc(CNc2nc(C)nc3cc(Br)sc23)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
APP P05067 4/20 0.47
ACHE P22303 5/20 0.46
BCHE P06276 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 3/20 0.44
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
STAT1 P42224 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5476835 0.78 ALDH1A1 (0.52) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL5441336 0.74 NPC1 (0.55) RAB9ANPC1APPACHEBCHE
SCHEMBL3113919 0.70 PDE5A (0.54) APPACHEBCHEKMT2AMEN1
SCHEMBL5344442 0.69 STAT1 (0.57) RAB9ANPC1APPKMT2AMEN1
SCHEMBL29808634 0.68 SMN1; SMN2 (0.48) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL22946708 0.68 SMN1; SMN2 (0.48) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL21542043 0.66 ACHE (0.67) APPACHEBCHEGAATNF
SCHEMBL30093057 0.66 ACHE (0.67) APPACHEBCHEGAATNF
SCHEMBL5128296 0.66 NPC1 (0.53) RAB9ANPC1APPACHEBCHE
SCHEMBL6742014 0.65 TSHR (0.48) APPACHEBCHEKMT2AMEN1

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-20070099941-A1 N-arylalkyl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 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-20070099941-A1 N-arylalkyl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP3, CASP4 RAB9A 1912/4885NPC1 2719/4885APP 1146/4885

“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.