SCHEMBL25669387

SCHEMBL25669387

CNc1c(C)ccc2ncn(C)c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 10/20 0.42
▸ DPP8 Q6V1X1 4/20 0.42
▸ IKBKB O14920 6/20 0.36
▸ CHUK O15111 5/20 0.36
▸ CDK2 P24941 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ IKBKE Q14164 1/20 0.34
▸ GDA Q9Y2T3 1/20 0.32
▸ YTHDC1 Q96MU7 1/20 0.32
▸ DYRK1A Q13627 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
SCHEMBL21049576 0.77 DPP4 (0.46) DPP4DPP8DYRK1A
SCHEMBL10673703 0.76 DPP4 (0.49) DPP4DPP8GDADYRK1A
SCHEMBL13676395 0.74 DPP4 (0.44) DPP4DPP8GDADYRK1A
SCHEMBL22349064 0.71 DPP4 (0.42) DPP4DPP8DYRK1A
SCHEMBL27051515 0.71 DPP4 (0.42) DPP4DPP8DYRK1A
SCHEMBL25669260 0.71 LMNA (0.41) DPP4IKBKBCHUKCDK2PLK1
SCHEMBL21986846 0.70 DPP4 (0.51) DPP4DPP8
SCHEMBL4724897 0.69 DPP4 (0.50) DPP4DPP8GDA
SCHEMBL21986867 0.69 KDM4E (0.40) DPP4DPP8DYRK1A
Hydrochloric Acid SCHEMBL21986831 0.69 DPP4 (0.65) DPP4DPP8

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-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 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-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS DPP4 3453/4885DPP8 3283/4885IKBKB 691/4885

“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.

Send feedback