SCHEMBL22967487

SCHEMBL22967487

C=CC(=O)N1CCC(C(C)(C)C)CC1CC#N

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.33
DPP4 P27487 7/20 0.32
SOS1 Q07889 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL25445845 0.84 DPP4 (0.30) DPP4
SCHEMBL25504815 0.83 DPP4 (0.34) DPP4DPP8DPP9
SCHEMBL25066412 0.83 KRAS (0.32) KRASDPP4DPP8DPP9
SCHEMBL25066395 0.83 KRAS (0.32) KRASDPP4DPP8DPP9
SCHEMBL25066398 0.81 KRAS (0.34) KRAS
SCHEMBL25066396 0.81 DPP4 (0.31) DPP4
SCHEMBL25445847 0.79 DPP4 (0.32) DPP4
SCHEMBL25446275 0.78
SCHEMBL22431479 0.76 JAK3 (0.39) DPP4
SCHEMBL30501880 0.76 SRC (0.40) KRASDPP4DPP8DPP9

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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 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 (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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC KRAS 1/4885DPP4 3172/4885SOS1 102/4885

“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.