SCHEMBL3072691

SCHEMBL3072691

COc1cc2ncnc(N3CCC(NC(=O)c4cscn4)CC3)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 8/20 0.57
MAPK1 P28482 1/20 0.55
PDGFRB P09619 8/20 0.54
PDGFRA P16234 4/20 0.54
KIT P10721 2/20 0.54
FLT3 P36888 2/20 0.54
ACHE P22303 2/20 0.53
BACE1 P56817 2/20 0.53
PDE10A Q9Y233 1/20 0.49

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
SCHEMBL24391608 0.83 ENPP1 (0.67) ENPP1MAPK1PDGFRBPDGFRAKIT
SCHEMBL4965169 0.79 ENPP1 (0.61) ENPP1MAPK1PDGFRBPDGFRAKIT
SCHEMBL3068444 0.79 ADRB2 (0.48) KIT
Buquineran SCHEMBL783795 0.77 ENPP1 (0.60) ENPP1MAPK1PDGFRBPDGFRAACHE
SCHEMBL22441440 0.77 ENPP1 (0.67) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL5070354 0.77 ENPP1 (0.61) ENPP1MAPK1PDGFRBACHEBACE1
SCHEMBL7276486 0.77 ENPP1 (0.59) ENPP1MAPK1PDGFRBPDGFRAKIT
Hydrochloric Acid SCHEMBL10798406 0.76 ENPP1 (0.58) ENPP1MAPK1PDGFRBPDGFRAKIT
SCHEMBL4966150 0.76 PDGFRB (0.70) ENPP1PDGFRBPDGFRAKITFLT3
SCHEMBL20771444 0.75 ENPP1 (0.65) ENPP1MAPK1PDGFRBACHEBACE1

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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB ENPP1 3709/4885MAPK1 1515/4885PDGFRB 227/4885

“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.