SCHEMBL20115399

SCHEMBL20115399

CC[C@H]1CN(c2cc(-c3cnc(N)nc3)nc(N3CCC3)n2)CCO1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.60
PIK3CA P42336 1/20 0.60

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
SCHEMBL21695280 0.98 MAP3K12 (0.60) MAP3K12PIK3CA
SCHEMBL20147765 0.97 MAP3K12 (0.60) MAP3K12PIK3CA
SCHEMBL21695315 0.92 MAP3K12 (0.62) MAP3K12PIK3CA
SCHEMBL21695290 0.91 MAP3K12 (0.61) MAP3K12PIK3CA
SCHEMBL21695318 0.90 MAP3K12 (0.61) MAP3K12PIK3CA
SCHEMBL21695313 0.90 MAP3K12 (0.60) MAP3K12PIK3CA
SCHEMBL21695275 0.89 MAP3K12 (0.64) MAP3K12PIK3CA
SCHEMBL21695268 0.88 MAP3K12 (0.60) MAP3K12PIK3CA
SCHEMBL21695277 0.88 MAP3K12 (0.61) MAP3K12PIK3CA
SCHEMBL21695279 0.88 MAP3K12 (0.66) MAP3K12PIK3CA

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-20180117044-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-05-03 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-20180117044-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH MAP3K12 2230/4885PIK3CA 4137/4885

“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.