SCHEMBL9965072

SCHEMBL9965072

CN1CCC(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
POLB P06746 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK7 Q13164 1/20 0.44
MAPT P10636 1/20 0.43
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
CCR3 P51677 1/20 0.42
SLC2A1 P11166 1/20 0.42

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
SCHEMBL9965063 0.88 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12679631 0.87 ABL1 (0.58) ABL1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9965099 0.82 MCHR1 (0.57) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9965098 0.80 HIF1A (0.57) KMT2AMEN1POLBMAPT
SCHEMBL12679630 0.80 KMT2A (0.49) ABL1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9965076 0.80 KMT2A (0.52) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12679591 0.80 KMT2A (0.71) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12679606 0.80 KMT2A (0.65) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12679618 0.79 KMT2A (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12679616 0.78 MEN1 (0.48) 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 ABL1 1126/4885KMT2A 1167/4885MEN1 2776/4885

“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.