SCHEMBL29489477

SCHEMBL29489477

N#Cc1cccc([C@@H](N)c2ccc(F)c(N)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.36
HDAC1 Q13547 1/20 0.36
P4HB P07237 2/20 0.35
SYK P43405 1/20 0.35
ADRA1D P25100 4/20 0.34
ADRA1A P35348 2/20 0.34
TNF P01375 1/20 0.34
ADRA2B P18089 1/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
KIF11 P52732 1/20 0.34
ADRA1B P35368 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33

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
SCHEMBL29581345 1.00 GRM4 (0.36) GRM4HDAC1P4HBSYKADRA1D
SCHEMBL17064311 1.00 GRM4 (0.36) GRM4HDAC1P4HBSYKADRA1D
SCHEMBL23429188 1.00 GRM4 (0.36) GRM4HDAC1P4HBSYKADRA1D
SCHEMBL18623225 1.00 GRM4 (0.36) GRM4HDAC1P4HBSYKADRA1D
SCHEMBL25667322 0.87 ADRA1D (0.39) HDAC1P4HBSYKADRA1DADRA1A
SCHEMBL25667323 0.87 ADRA1D (0.39) HDAC1P4HBSYKADRA1DADRA1A
SCHEMBL17064633 0.87 GRIN2D (0.38) GRM4HDAC1P4HBSYKADRA1D
SCHEMBL30834043 0.87 GRIN2D (0.38) GRM4HDAC1P4HBSYKADRA1D
SCHEMBL1528612 0.80 CNR1 (0.44) ADRA1DADRA1AADRA2BADRA1BCNR1
SCHEMBL1528610 0.80 CNR1 (0.44) ADRA1DADRA1AADRA2BADRA1BCNR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 CN disclosed
EP-4019022-B1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2024-01-31 EP disclosed
US-11807605-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
EP-4019022-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2022-06-29 EP disclosed
CN-114591212-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-06-07 CN disclosed
CN-108289893-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-04-12 CN disclosed
US-20220098151-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2022-03-31 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-11807605-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 GRM4 4830/4885HDAC1 1075/4885P4HB 860/4885
US-20220098151-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 GRM4 4830/4885HDAC1 1075/4885P4HB 860/4885

“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.