SCHEMBL25819005

SCHEMBL25819005

CCC(C)(C)c1cc(CN2CC(F)(F)C2)no1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32

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
SCHEMBL23966717 0.87 EGFR (0.36) NOS3NOS1NOS2
SCHEMBL25792446 0.77 HPGD (0.38)
SCHEMBL25796813 0.76 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL24072587 0.75 MAPT (0.45) NOS3NOS1NOS2
SCHEMBL23966768 0.74 SMN1; SMN2 (0.39) NOS3NOS1NOS2
SCHEMBL25799448 0.72 NOTUM (0.40)
SCHEMBL24096697 0.70 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL23966740 0.68
SCHEMBL21500964 0.67 KCNH2 (0.43)
SCHEMBL14530597 0.66 POLB (0.36)

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-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 NOS3 964/4885NOS1 891/4885NOS2 1583/4885

“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.