SCHEMBL9965094

SCHEMBL9965094

O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(N2CCN(CCO)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
MAPK8 P45983 1/20 0.44
RAB9A P51151 2/20 0.44
JAK3 P52333 2/20 0.43
SRC P12931 1/20 0.43
JAK2 O60674 1/20 0.42
HTR1A P08908 1/20 0.42
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL12679614 0.91 CHRM1 (0.50) TRPV1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL1071612 0.87 MTOR (0.47) TRPV1MAPK8RAB9AHTR1AALDH1A1
SCHEMBL12679615 0.87 POLB (0.47) TRPV1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9965061 0.85 MEN1 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL4062491 0.82 RAB9A (0.48) TRPV1CYP1A2CYP3A4MAPK8RAB9A
SCHEMBL13552807 0.82 MAPK8 (0.45) TRPV1MAPK8RAB9ASRCKDM4E
SCHEMBL399009 0.81 SMO (0.56) TRPV1KMT2AMEN1MAPK8RAB9A
SCHEMBL9965095 0.81 SMO (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9965096 0.81 SMO (0.62) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL4967865 0.80 MAPK8 (0.49) TRPV1MAPK8RAB9ALMNASMO

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 TRPV1 3950/4885KMT2A 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.