SCHEMBL3060474

SCHEMBL3060474

COc1nc(OC)nc(N2CCC(c3nc(C(N)=O)cs3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SPR P35270 2/20 0.39
AXL P30530 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
SCD O00767 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL27709468 0.89 POLB (0.43) POLBTDP1MAPTUSP2ALDH1A1
SCHEMBL3061483 0.84 F10 (0.38) TDP1HRH3SPRAXLSCD
SCHEMBL28020356 0.79 SPR (0.44) HRH3SPRSCDTSHR
SCHEMBL2187222 0.78 TRPC3 (0.38) POLBTDP1MAPTUSP2ALDH1A1
SCHEMBL12467241 0.76 HTR2B (0.42) HRH3SPRSCDCYP2C19
SCHEMBL18711312 0.76 SPR (0.47) HRH3SPR
SCHEMBL5262890 0.75 HTR1A (0.42) USP2ALDH1A1
SCHEMBL2186770 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5316067 0.74 TRPC3 (0.40) POLBTDP1MAPTUSP2ALDH1A1
SCHEMBL5263403 0.74 FPR2 (0.48) USP2ALDH1A1MEN1KMT2ATP53

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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2009-12-10 US disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 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 (3 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB POLB 731/4885TDP1 3625/4885MAPT 4818/4885
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE IL2, IL17A, IFNG POLB 1075/4885TDP1 3754/4885MAPT 2853/4885
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB POLB 288/4885TDP1 4129/4885MAPT 4579/4885

“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.