SCHEMBL4298330

SCHEMBL4298330

Cc1cc2nnc(C(=O)N3CCC(c4nc(C(N)=O)cs4)CC3)c(C)n2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 6/20 0.45
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PPARG P37231 1/20 0.35
TRPC3 Q13507 3/20 0.33
TRPC6 Q9Y210 3/20 0.33
HSD11B1 P28845 1/20 0.33
UBE2M P61081 3/20 0.33
DCUN1D1 Q96GG9 3/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32

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
SCHEMBL491365 0.85 DPP4 (0.35) SPRDPP4KCNH2DPP7PPARG
SCHEMBL5225488 0.83 TP53 (0.38) SPRPPARGMAPTLMNA
SCHEMBL2186866 0.82 NR2E1 (0.47) MAPTLMNA
SCHEMBL2185602 0.81 KDM4E (0.45) SPRHSD11B1
SCHEMBL2186066 0.79 LMNA (0.45) MAPTHSD17B10LMNA
SCHEMBL3063005 0.74 SPR (0.39) SPRHSD11B1
SCHEMBL18711312 0.73 SPR (0.47) SPRTRPC3TRPC6HSD11B1PDE4B
SCHEMBL28020356 0.71 SPR (0.44) SPR
SCHEMBL18701897 0.70 SPR (0.45) SPRKCNH2PPARGTRPC3TRPC6
SCHEMBL3281807 0.70 CYP1A2 (0.46) MAPTHSD17B10PDE5APDE4APDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2009-12-10 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-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB SPR 4230/4885DPP4 4559/4885KCNH2 1008/4885

“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.