SCHEMBL25446258

SCHEMBL25446258

COC/C=C/C(=O)N1CCCC[C@H]1CC#N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.39
VNN1 O95497 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 1/20 0.34
BTK Q06187 7/20 0.34
HRH3 Q9Y5N1 3/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 2/20 0.32
PREP P48147 1/20 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
SCHEMBL24876304 0.82 KRAS (0.35) KRAS
SCHEMBL24876392 0.82 KRAS (0.35) KRAS
SCHEMBL25066432 0.81 KRAS (0.34) KRAS
SCHEMBL24543191 0.80 KRAS (0.38) KRAS
SCHEMBL25445889 0.80 KRAS (0.34) KRASKMT2A
SCHEMBL25066398 0.80 KRAS (0.34) KRAS
SCHEMBL30501887 0.76 VNN1 (0.39) KRASVNN1DPP4DPP7
SCHEMBL30501721 0.74 VNN1 (0.38) VNN1DPP4DPP7PREP
SCHEMBL14808879 0.73 VNN1 (0.42) VNN1DPP4DPP7PREP
SCHEMBL28793584 0.73 VNN1 (0.42) VNN1DPP4DPP7PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030884-B2 Pyrazoloquinoline KRAS inhibitors INCYTE CORPORATION (US) 2024-07-09 US disclosed
US-20230143938-A1 PYRAZOLOQUINOLINE KRAS INHIBITORS INCYTE CORPORATION 2023-05-11 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-20230143938-A1 PYRAZOLOQUINOLINE KRAS INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885VNN1 4178/4885KMT2A 2953/4885
US-12030884-B2 Pyrazoloquinoline KRAS inhibitors KRAS, NRAS, HRAS KRAS 1/4885VNN1 4178/4885KMT2A 2953/4885

“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.