SCHEMBL5470535

SCHEMBL5470535

COc1ccccc1Nc1c2c(nc3ccccc13)CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
MEN1 O00255 3/20 1.00
TP53 P04637 9/20 0.77
SMN1; SMN2 Q16637 7/20 0.77
GFER P55789 3/20 0.77
NPC1 O15118 2/20 0.77
ATM Q13315 1/20 0.77
TDP1 Q9NUW8 1/20 0.72
MAPT P10636 6/20 0.71
POLB P06746 2/20 0.67
GAA P10253 2/20 0.66
HTT P42858 2/20 0.60
LMNA P02545 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
CYP1A2 P05177 1/20 0.57
BCHE P06276 1/20 0.57
CYP3A4 P08684 1/20 0.57
ACHE P22303 1/20 0.57

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
SCHEMBL10061811 0.82 MEN1 (0.69) KMT2AMEN1TP53SMN1; SMN2GFER
SCHEMBL5480161 0.80 TP53 (0.67) KMT2AMEN1TP53SMN1; SMN2GFER
SCHEMBL18038469 0.79 TP53 (1.00) KMT2AMEN1TP53SMN1; SMN2GFER
SCHEMBL8004824 0.79 KMT2A (0.64) KMT2AMEN1TP53SMN1; SMN2GFER
SCHEMBL7941639 0.76 ACHE (0.61) KMT2AMEN1GFERMAPTGAA
Hydrochloric Acid SCHEMBL7946348 0.75 KMT2A (0.62) KMT2AMEN1GFERMAPTPOLB
SCHEMBL7944955 0.75 BCHE (0.61) KMT2AMEN1GFERMAPTGAA
SCHEMBL5467891 0.74 KMT2A (0.77) KMT2AMEN1TP53SMN1; SMN2GFER
SCHEMBL7935344 0.74 KMT2A (0.68) KMT2AMEN1TP53SMN1; SMN2GFER
SCHEMBL16684277 0.74 ACHE (0.66) KMT2ABCHEACHE

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-20070253957-A1 Substituted N-Aryl-1H-Pyrazolo[3,4-B]Quinolin-4-Amines and Analogs as Activators of Caspases and Inducers of Apoptosis CYTOVIA, INC. (US) 2007-11-01 US claimed
US-20070253957-A1 Substituted N-Aryl-1H-Pyrazolo[3,4-B]Quinolin-4-Amines and Analogs as Activators of Caspases and Inducers of Apoptosis CYTOVIA, INC. (US) 2007-11-01 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-20070253957-A1 Substituted N-Aryl-1H-Pyrazolo[3,4-B]Quinolin-4-Amines and Analogs as Activators of Caspases and Inducers of Apoptosis CASP3, CASP7, CASP4 KMT2A 2718/4885MEN1 3291/4885TP53 27/4885

“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.