SCHEMBL9965066

SCHEMBL9965066

CN(C)CC(=O)Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
JAK2 O60674 1/20 0.46
TP53 P04637 3/20 0.46
STAT1 P42224 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9965081 0.85 TP53 (0.63) JAK3RAB9ANPC1MAPTALDH1A1
SCHEMBL12681346 0.84 RAB9A (0.64) JAK3RAB9ANPC1MAPTALDH1A1
SCHEMBL1463296 0.81 RAB9A (0.77) JAK3RAB9ANPC1MAPTALDH1A1
SCHEMBL9965093 0.80 USP28 (0.49) JAK3RAB9ANPC1MAPTMEN1
SCHEMBL12679606 0.80 KMT2A (0.65) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL9965060 0.79 RAB9A (0.46) JAK3RAB9ANPC1MAPTALDH1A1
SCHEMBL9965058 0.79 PKM (0.52) RAB9ANPC1JAK2MEN1CYP1A2
SCHEMBL9965085 0.78 JAK2 (0.67) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL12679591 0.78 KMT2A (0.71) RAB9ANPC1MAPTMEN1CYP1A2
SCHEMBL12679565 0.77 MAPT (0.53) JAK3RAB9ANPC1MAPTALDH1A1

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 JAK3 696/4885RAB9A 2425/4885NPC1 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.