SCHEMBL3072684

SCHEMBL3072684

COc1cc2ncnc(N3CCC(c4nc(C(N)=O)cs4)CC3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 9/20 0.55
MAPK1 P28482 1/20 0.55
ACHE P22303 2/20 0.53
BACE1 P56817 2/20 0.53
PDGFRB P09619 3/20 0.49
PDGFRA P16234 3/20 0.49
KIT P10721 2/20 0.49
FLT3 P36888 2/20 0.49
PDE10A Q9Y233 3/20 0.49
AURKA O14965 2/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL4299973 0.89 TLR9 (0.53) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL460244 0.79 NFKB1 (0.58) KIT
SCHEMBL22441575 0.77 PDE10A (0.65) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL2137619 0.76 NFKB1 (0.69) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL10618244 0.75 MAPK1 (0.74) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL4969095 0.75 MAPK1 (0.74) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL20782445 0.75 ENPP1 (0.74) ENPP1MAPK1ACHEBACE1PDGFRB
SCHEMBL4965743 0.74 ENPP1 (0.70) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL7276406 0.74 ENPP1 (0.73) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL22291145 0.74 ENPP1 (0.69) ENPP1MAPK1ACHEBACE1PDGFRB

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 ENPP1 3709/4885MAPK1 1515/4885ACHE 3724/4885
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE IL2, IL17A, IFNG ENPP1 1790/4885MAPK1 2410/4885ACHE 4839/4885
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB ENPP1 4005/4885MAPK1 1872/4885ACHE 4772/4885

“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.