SCHEMBL10272589

SCHEMBL10272589

CCc1cn(CC)c(CN(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL18516701 0.78 CYP19A1 (0.35) ALDH1A1
SCHEMBL28327462 0.73 ALDH1A1 (0.50) ALDH1A1HRH3
SCHEMBL18157905 0.69 ALDH1A1 (0.32) NOTUMALDH1A1
SCHEMBL22427777 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13384284 0.68 NOS3 (0.33)
SCHEMBL30660189 0.67 RAB9A (0.47) ALDH1A1
SCHEMBL10272748 0.65 GRIN2D (0.42) ALDH1A1HRH3
SCHEMBL2612085 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL30751045 0.65 NOTUM (0.33) NOTUM
SCHEMBL24721127 0.64 POLB (0.33) ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 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-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR NOTUM 4505/4885ALDH1A1 411/4885HRH3 299/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 NOTUM 1635/4885ALDH1A1 3553/4885HRH3 3157/4885

“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.