SCHEMBL3063005

SCHEMBL3063005

Cc1cc2nccc(N3CCC(c4nc(C(N)=O)cs4)CC3)n2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.39
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
GSK3B P49841 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TPH1 P17752 1/20 0.33
POLB P06746 1/20 0.33
SCD O00767 1/20 0.33
OGA O60502 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
BTK Q06187 1/20 0.32
MRGPRX2 Q96LB1 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
HSD11B1 P28845 1/20 0.32
DYRK1A Q13627 2/20 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
SCHEMBL4955202 0.78 DRD4 (0.39) SPRHTTMEN1KMT2APOLB
SCHEMBL4298330 0.74 SPR (0.45) SPRHSD11B1
SCHEMBL3065897 0.72 HRH3 (0.46) HRH3
SCHEMBL28020356 0.71 SPR (0.44) SPRPIM1PIM3PIM2GSK3B
SCHEMBL3063007 0.71 MCHR1 (0.45) HTTMEN1KMT2APIM1SMPD3
SCHEMBL12467241 0.69 HTR2B (0.42) SPRPIM1PIM3PIM2HRH3
SCHEMBL18711312 0.69 SPR (0.47) SPRHRH3HSD11B1
SCHEMBL460244 0.68 NFKB1 (0.58) NFKB1NFKB2RELA
SCHEMBL3060474 0.68 POLB (0.42) SPRHTTMEN1KMT2AHRH3
SCHEMBL18701897 0.67 SPR (0.45) SPRPIM1PIM3PIM2HRH3

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SPR 2392/4885HTT 2842/4885MEN1 4332/4885
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB SPR 4230/4885HTT 1237/4885MEN1 3999/4885

“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.