SCHEMBL9965081

SCHEMBL9965081

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.63
RXFP1 Q9HBX9 1/20 0.63
MAPT P10636 2/20 0.53
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 1/20 0.51
JAK3 P52333 6/20 0.51
NPC1 O15118 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MITF O75030 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 3/20 0.49
TSHR P16473 1/20 0.49
JAK2 O60674 1/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9965066 0.85 JAK3 (0.51) TP53RXFP1MAPTRAB9ASMN1; SMN2
SCHEMBL12681346 0.84 RAB9A (0.64) TP53MAPTRAB9ASMN1; SMN2GAA
SCHEMBL12679606 0.80 KMT2A (0.65) TP53MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9965060 0.79 RAB9A (0.46) TP53MAPTRAB9ASMN1; SMN2GAA
SCHEMBL9965058 0.79 PKM (0.52) RAB9ANPC1JAK2MEN1KMT2A
SCHEMBL12681298 0.78 KMT2A (0.48) MAPTRAB9AGAAJAK3NPC1
SCHEMBL9965085 0.78 JAK2 (0.67) TP53MAPTRAB9ASMN1; SMN2GAA
SCHEMBL12679591 0.78 KMT2A (0.71) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL13679567 0.77 TP53 (1.00) TP53RXFP1MAPTSMN1; SMN2GAA
SCHEMBL12679565 0.77 MAPT (0.53) TP53MAPTRAB9ASMN1; SMN2GAA

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 TP53 2287/4885RXFP1 264/4885MAPT 4868/4885

“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.