SCHEMBL13040587

SCHEMBL13040587

CS(=O)(=O)Nc1cccc2nc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.54
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
GLO1 Q04760 2/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
P2RX7 Q99572 3/20 0.45
MAPK10 P53779 1/20 0.45
NFE2L2 Q16236 1/20 0.44
MMP2 P08253 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
KDM1A O60341 1/20 0.42
TP53 P04637 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL1615356 0.77 MEN1 (0.56) KEAP1GLO1NFE2L2SLC40A1KDM4E
SCHEMBL13040635 0.77 KEAP1 (0.49) KEAP1JAK2JAK1GLO1ALOX15
SCHEMBL2907020 0.76 SLC40A1 (0.49) KEAP1GLO1P2RX7NFE2L2SLC40A1
SCHEMBL1616338 0.76 SLC40A1 (0.48) GLO1P2RX7SLC40A1KDM4E
SCHEMBL5923678 0.75 P2RX7 (0.47) HTTP2RX7SLC40A1KDM1AKDM4E
SCHEMBL2914257 0.74 HTT (0.60) KEAP1JAK2JAK1GLO1ALOX15
SCHEMBL115891 0.74 P2RX7 (0.60) HTTP2RX7CYP1A2CYP2D6NPC1
SCHEMBL11509065 0.73 KEAP1 (0.77) KEAP1JAK2JAK1GLO1ALOX15
SCHEMBL20517853 0.73 PIK3CD (0.43) KEAP1GLO1ALOX15HTTNFE2L2
SCHEMBL114390 0.72 P2RX7 (0.64) HTTP2RX7TP53KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 KEAP1 971/4885JAK2 530/4885JAK1 809/4885

“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.