SCHEMBL22166202

SCHEMBL22166202

COC(=O)c1cn(Cc2ccc(C3CC4C(C3)C4(F)F)nc2C)c2ncncc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.52
CFD P00746 1/20 0.34
KDM4E B2RXH2 1/20 0.32
NTRK1 P04629 3/20 0.31
KCNH2 Q12809 1/20 0.30
NTRK2 Q16620 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL21713030 0.86 KLKB1 (0.65) KLKB1CFD
SCHEMBL31033223 0.86 KLKB1 (0.65) KLKB1CFD
SCHEMBL21736634 0.81 KLKB1 (0.65) KLKB1CFDKDM4E
SCHEMBL21736858 0.79 KLKB1 (0.64) KLKB1
SCHEMBL31741485 0.79 KLKB1 (0.64) KLKB1
SCHEMBL31741497 0.76 KLKB1 (0.66) KLKB1CFD
SCHEMBL21736623 0.76 KLKB1 (0.66) KLKB1CFD
SCHEMBL23769365 0.76 KLKB1 (0.51) KLKB1CFDKDM4E
SCHEMBL23769343 0.76 KLKB1 (0.49) KLKB1CFDKDM4ENTRK1
SCHEMBL21713084 0.74 KLKB1 (0.43) KLKB1CFDKDM4ENTRK1

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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885CFD 703/4885KDM4E 337/4885

“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.