SCHEMBL20997136

SCHEMBL20997136

COc1ccc(CC2CCN(C(=O)Nc3nc(C)ns3)CC2)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIK3CG P48736 4/20 0.44
RYR2 Q92736 1/20 0.44
CCR3 P51677 3/20 0.42
TP53 P04637 1/20 0.39
EPHX2 P34913 1/20 0.38
KCNH2 Q12809 2/20 0.38
PI4KB Q9UBF8 1/20 0.38
NPC1 O15118 1/20 0.38
GSK3B P49841 1/20 0.38
GCK P35557 1/20 0.38

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
SCHEMBL20971863 0.90 MEN1 (0.48) KMT2AMEN1SMN1; SMN2PIK3CGCCR3
SCHEMBL20996927 0.89 GPR6 (0.46) KMT2AMEN1SMN1; SMN2PIK3CGCCR3
SCHEMBL20997053 0.87 MAPT (0.43) CCR3TP53EPHX2
SCHEMBL20996297 0.84 MEN1 (0.62) KMT2AMEN1SMN1; SMN2CCR3
SCHEMBL20971839 0.81 MEN1 (0.44) KMT2AMEN1SMN1; SMN2CCR3
SCHEMBL20997054 0.80 THRB (0.48) TP53NPC1GSK3B
SCHEMBL3587135 0.79 PIK3CG (0.52) KMT2AMEN1SMN1; SMN2PIK3CGRYR2
SCHEMBL20971793 0.79 FAAH (0.44) CCR3GSK3B
SCHEMBL20971797 0.79 OPRM1 (0.44) NPC1
SCHEMBL20996950 0.79 EPHX2 (0.50) KMT2AMEN1CCR3EPHX2

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-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS BASILEA PHARM INT AG (CH) 2019-05-16 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-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS NDUFAB1, FH, MT-ND1 KMT2A 2480/4885MEN1 1271/4885SMN1; SMN2 1281/4885

“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.