SCHEMBL9965096

SCHEMBL9965096

CC1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cn2)CC(C)N1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.62
HDAC1 Q13547 2/20 0.54
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.42
IKBKB O14920 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9965095 0.90 SMO (0.50) SMOHDAC1KMT2AMEN1CYP1A2
SCHEMBL23085042 0.87 SMO (0.68) SMOHDAC1
SCHEMBL1070736 0.87 SMO (0.68) SMOHDAC1
SCHEMBL12679615 0.84 POLB (0.47) SMOKMT2AMEN1CYP1A2CYP3A4
SCHEMBL9965097 0.84 MEN1 (0.46) SMOKMT2AMEN1CYP1A2CYP3A4
SCHEMBL12679614 0.83 CHRM1 (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9965094 0.81 TRPV1 (0.47) SMOKMT2AMEN1CYP1A2CYP3A4
SCHEMBL401222 0.81 SMO (0.85) SMOHDAC1MAPT
SCHEMBL18020148 0.80 SMO (0.70) SMOHDAC1HTTIKBKBMAPT
SCHEMBL12679578 0.80 KMT2A (0.54) 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 SMO 4/4885HDAC1 648/4885KMT2A 1167/4885

“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.