SCHEMBL9965085

SCHEMBL9965085

O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)C1CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.67
ABL1 P00519 12/20 0.55
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTBP1 P26599 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 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
SCHEMBL12681346 0.83 RAB9A (0.64) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL9965058 0.83 PKM (0.52) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL12679606 0.81 KMT2A (0.65) SMN1; SMN2NPC1MAPTRAB9ATP53
SCHEMBL1463399 0.80 JAK2 (1.00) JAK2SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL12679591 0.80 KMT2A (0.71) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL9965091 0.79 NPC1 (0.51) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL12679627 0.79 KMT2A (0.52) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL9965060 0.79 RAB9A (0.46) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL12679578 0.78 KMT2A (0.54) NPC1MAPTRAB9AGAAMEN1
SCHEMBL9965066 0.78 JAK3 (0.51) JAK2SMN1; SMN2NPC1ALDH1A1MAPT

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 JAK2 1554/4885ABL1 1126/4885SMN1; SMN2 3253/4885

“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.