SCHEMBL14213469

SCHEMBL14213469

CC(C)N1CCC[C@@H]1c1ncc(F)cn1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.35
HRH3 Q9Y5N1 1/20 0.31
ATR Q13535 1/20 0.31
SCN3A Q9NY46 1/20 0.31

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
SCHEMBL14213463 1.00 PARP1 (0.35) PARP1HRH3ATRSCN3A
SCHEMBL14213470 1.00 PARP1 (0.35) PARP1HRH3ATRSCN3A
SCHEMBL14213467 0.81 PARP1 (0.40) PARP1
SCHEMBL14213459 0.81 PARP1 (0.40) PARP1
SCHEMBL8215178 0.81 PARP1 (0.40) PARP1
SCHEMBL4104943 0.78 NTRK1 (0.46)
SCHEMBL4095007 0.77 NTRK1 (0.42) PARP1ATR
SCHEMBL18791259 0.77 NTRK1 (0.38) PARP1
SCHEMBL19560132 0.75 NTRK1 (0.46)
SCHEMBL4102101 0.75 NTRK1 (0.44)

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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 PARP1 1305/4885HRH3 1736/4885ATR 748/4885

“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.