SCHEMBL9965098

SCHEMBL9965098

O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.57
EPAS1 Q99814 5/20 0.57
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 5/20 0.54
TP53 P04637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
MAPK1 P28482 3/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
JAK3 P52333 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL9965064 0.92 SMN1; SMN2 (0.52) HIF1AEPAS1NPC1RAB9AKMT2A
SCHEMBL9965099 0.91 MCHR1 (0.57) KMT2AJAK3MEN1
SCHEMBL12679630 0.90 KMT2A (0.49) RAB9AKMT2AALDH1A1POLBMEN1
SCHEMBL12679631 0.90 ABL1 (0.58) RAB9AKMT2ALMNAALDH1A1MEN1
SCHEMBL1018841 0.85 HIF1A (0.61) HIF1AEPAS1NPC1RAB9AKMT2A
SCHEMBL12679591 0.82 KMT2A (0.71) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL12679606 0.82 KMT2A (0.65) NPC1RAB9AKMT2ATP53POLB
SCHEMBL17195240 0.81 KMT2A (0.47) KMT2AALDH1A1POLBHTTJAK3
SCHEMBL9965072 0.80 ABL1 (0.49) KMT2APOLBMEN1MAPT
SCHEMBL12681347 0.80 KMT2A (0.59) KMT2APOLBMEN1MAPT

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 HIF1A 856/4885EPAS1 1586/4885NPC1 2120/4885

“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.