SCHEMBL5580128

SCHEMBL5580128

COc1ccc(CNc2ncnc3sccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.72
NOD1 Q9Y239 2/20 0.72
RAB9A P51151 5/20 0.69
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
NPC1 O15118 3/20 0.66
NR2F2 P24468 2/20 0.61
EGFR P00533 2/20 0.61
POLB P06746 1/20 0.61
HTT P42858 3/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GALR3 O60755 1/20 0.59
CCNC P24863 1/20 0.57
CDK8 P49336 1/20 0.57
TSHR P16473 1/20 0.56
PDE5A O76074 1/20 0.55

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
SCHEMBL5423236 0.87 RAB9A (0.73) TNFNOD1RAB9AMEN1KMT2A
SCHEMBL27697481 0.85 RAB9A (0.64) TNFNOD1RAB9AMEN1KMT2A
SCHEMBL7404118 0.84 TNF (1.00) TNFNOD1RAB9AMEN1KMT2A
SCHEMBL3118967 0.81 TNF (0.48) TNFNOD1RAB9AMEN1KMT2A
SCHEMBL8515605 0.77 KMT2A (0.57) TNFNOD1RAB9AMEN1KMT2A
SCHEMBL3342319 0.77 CCNC (0.70) RAB9AMEN1KMT2ANR2F2EGFR
SCHEMBL31217447 0.76 RAB9A (0.61) TNFNOD1RAB9AMEN1KMT2A
SCHEMBL8496629 0.76 HTT (0.71) TNFNOD1RAB9AMEN1KMT2A
SCHEMBL3112115 0.76 EGFR (1.00) RAB9AMEN1KMT2ANPC1NR2F2
SCHEMBL22862812 0.75 RAB9A (0.72) TNFNOD1RAB9AMEN1KMT2A

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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 TNF 3578/4885NOD1 462/4885RAB9A 1368/4885

“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.