SCHEMBL9965076

SCHEMBL9965076

CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 3/20 0.52
POLB P06746 1/20 0.51
MCL1 Q07820 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP2C19 P33261 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.48
USP28 Q96RU2 1/20 0.45

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
SCHEMBL12679609 0.90 KMT2A (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9965070 0.89 USP28 (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL4905510 0.87 USP28 (0.56) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12679591 0.85 KMT2A (0.71) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12679606 0.85 KMT2A (0.65) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1018429 0.84 USP28 (0.62) KMT2AMEN1USP28
SCHEMBL12679622 0.84 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9965071 0.84 KMT2A (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12681347 0.83 KMT2A (0.59) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12679581 0.82 USP28 (0.56) KMT2AMEN1CYP1A2CYP3A4CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273743-B2 N-(4-chloro-3-(quinoxalin-3-yl)phenyl)-3,5-dimethoxybenzamide; for treating malignancies CURIS, INC. (US) 2012-09-25 US disclosed
US-8273743-B2 N-(4-chloro-3-(quinoxalin-3-yl)phenyl)-3,5-dimethoxybenzamide; for treating malignancies CURIS, INC. (US) 2012-09-25 US disclosed
EP-1745041-B1 QUINOXALINE INHIBITORS OF THE HEDGEHOG SIGNALLING PATHWAY GENENTECH INC (US) 2012-06-20 EP disclosed
US-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling GENENTECH, INC. 2008-10-23 US disclosed
US-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling GENENTECH, INC. 2008-10-23 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-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling SHH, NR4A2, NR4A3 KMT2A 1167/4885MEN1 2776/4885CYP1A2 2142/4885

“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.