SCHEMBL21839989

SCHEMBL21839989

O=C(O)N1CCN(c2ncnc3cc(Br)c(Cl)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 11/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
KRAS P01116 8/20 0.47
PDGFRA P16234 3/20 0.46
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL16637875 0.95 PDGFRB (0.49) PDGFRBACHEBACE1KRASPDGFRA
SCHEMBL29611800 0.83 KIT (0.52) PDGFRBACHEBACE1KRASPDGFRA
SCHEMBL16637964 0.83 KIT (0.52) PDGFRBACHEBACE1KRASPDGFRA
SCHEMBL22631342 0.83 ACHE (0.53) PDGFRBACHEBACE1PDGFRAKIT
SCHEMBL22631353 0.82 ABL1 (0.45) PDGFRBKRAS
SCHEMBL22631414 0.82 ACHE (0.67) PDGFRBACHEBACE1PDGFRAKIT
SCHEMBL17030873 0.81 HTT (0.54) PDGFRBACHEBACE1
SCHEMBL22029303 0.81 KRAS (0.49) PDGFRBACHEBACE1KRASPDGFRA
SCHEMBL22631427 0.81 KRAS (0.46) KRAS
SCHEMBL22631320 0.81 ABL1 (0.40) PDGFRBKRAS

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-10968214-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2021-04-06 US disclosed
EP-3735299-A2 FUSED RING COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-11-11 EP disclosed
US-20200115375-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2020-04-16 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-20200115375-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PDGFRB 1004/4885ACHE 4874/4885BACE1 2715/4885
US-10968214-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PDGFRB 1004/4885ACHE 4874/4885BACE1 2715/4885

“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.