SCHEMBL9965064

SCHEMBL9965064

O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1cccc(CN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 1/20 0.52
KCNH2 Q12809 2/20 0.51
JAK3 P52333 1/20 0.51
ABL1 P00519 1/20 0.51
MEN1 O00255 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MTOR P42345 1/20 0.47
POLB P06746 2/20 0.47
ESR1 P03372 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HIF1A Q16665 2/20 0.47
EPAS1 Q99814 2/20 0.47

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
SCHEMBL9965098 0.92 HIF1A (0.57) SMN1; SMN2KMT2AALDH1A1NPC1RAB9A
SCHEMBL9965099 0.84 MCHR1 (0.57) KMT2AJAK3MEN1HTR2C
SCHEMBL12679630 0.82 KMT2A (0.49) KMT2AALDH1A1RAB9AABL1MEN1
SCHEMBL12679631 0.82 ABL1 (0.58) KMT2AALDH1A1RAB9AABL1MEN1
SCHEMBL12679588 0.80 KMT2A (0.59) KMT2AMEN1MAPTPOLB
SCHEMBL1018841 0.80 HIF1A (0.61) KMT2AALDH1A1NPC1RAB9ATP53
SCHEMBL12679606 0.80 KMT2A (0.65) SMN1; SMN2KMT2ANPC1RAB9ATP53
SCHEMBL9965088 0.79 JAK3 (0.48) KMT2AALDH1A1JAK3MEN1LMNA
SCHEMBL12681302 0.78 KMT2A (0.55) SMN1; SMN2KMT2AALDH1A1MEN1MAPT
SCHEMBL17195240 0.76 KMT2A (0.47) KMT2AALDH1A1JAK3MEN1MAPT

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 SMN1; SMN2 3253/4885KMT2A 1167/4885ALDH1A1 2618/4885

“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.