SCHEMBL9965060

SCHEMBL9965060

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
JAK3 P52333 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 3/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
BTK Q06187 2/20 0.44
ITK Q08881 2/20 0.44
EGFR P00533 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
SCHEMBL12681346 0.85 RAB9A (0.64) RAB9ANPC1TP53STAT1SMN1; SMN2
SCHEMBL12679606 0.81 KMT2A (0.65) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL9965058 0.80 PKM (0.52) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL12679588 0.79 KMT2A (0.59) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9965081 0.79 TP53 (0.63) RAB9ANPC1TP53STAT1SMN1; SMN2
SCHEMBL12679585 0.79 KMT2A (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9965066 0.79 JAK3 (0.51) RAB9ANPC1TP53STAT1SMN1; SMN2
SCHEMBL9965085 0.79 JAK2 (0.67) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL12679591 0.79 KMT2A (0.71) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL12679565 0.78 MAPT (0.53) RAB9ANPC1TP53STAT1SMN1; SMN2

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 3 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
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

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 RAB9A 2425/4885NPC1 2120/4885TP53 2287/4885

“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.