SCHEMBL9965088

SCHEMBL9965088

O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1cccc(NCCCN2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.48
LCK P06239 2/20 0.46
FGFR1 P11362 2/20 0.44
SRC P12931 2/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
CCNT1 O60563 1/20 0.43
MTOR P42345 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ACP1 P24666 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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 0.79 HIF1A (0.57) JAK3MAPTKMT2AALDH1A1MEN1
SCHEMBL9965064 0.79 SMN1; SMN2 (0.52) JAK3MAPTKMT2AMTORALDH1A1
SCHEMBL1020175 0.77 MTOR (0.51) MAPTKMT2AMTORALDH1A1MEN1
SCHEMBL12679627 0.76 KMT2A (0.52) JAK3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL12679565 0.74 MAPT (0.53) JAK3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL1017093 0.71 MTOR (0.53) KMT2AMTORALDH1A1CYP1A2CYP2C19
SCHEMBL2611868 0.71 MTOR (0.51) MAPTKMT2AMTORALDH1A1CYP1A2
SCHEMBL12679591 0.71 KMT2A (0.71) MAPTKMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL12679607 0.71 KIT (0.48) JAK3KMT2AMEN1
SCHEMBL12679606 0.71 KMT2A (0.65) MAPTKMT2ACYP1A2CYP2C19CYP3A4

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 696/4885LCK 3866/4885FGFR1 751/4885

“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.