SCHEMBL9965097

SCHEMBL9965097

CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cc2)CC(C)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
POLB P06746 1/20 0.45
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMO Q99835 1/20 0.43
LMNA P02545 2/20 0.43
GRM4 Q14833 1/20 0.43
KLK7 P49862 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL9965100 0.90 RXFP1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9965065 0.87 KMT2A (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1017063 0.87 ALB (0.56) POLBRXFP1KDM4EALDH1A1SMO
SCHEMBL12679618 0.86 KMT2A (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL12679616 0.85 MEN1 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9965069 0.85 PABPC1 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9965096 0.84 SMO (0.62) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4905510 0.83 USP28 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9965061 0.82 MEN1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9965101 0.79 KMT2A (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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 MEN1 2776/4885KMT2A 1167/4885CYP1A2 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.