SCHEMBL20115345

SCHEMBL20115345

CC[C@H]1CN(c2cc(-c3cnc(N)c(C(F)(F)F)c3)nc(N3CC4CC3C4)n2)CCN1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.59

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
SCHEMBL21695285 0.84 MAP3K12 (0.66) MAP3K12
SCHEMBL21695266 0.81 MAP3K12 (0.70) MAP3K12
SCHEMBL20115322 0.79 MAP3K12 (0.73) MAP3K12
SCHEMBL16210547 0.78 MAP3K12 (0.73) MAP3K12
SCHEMBL19273643 0.78 MAP3K12 (0.67) MAP3K12
SCHEMBL20147768 0.76 MAP3K12 (0.71) MAP3K12
SCHEMBL22050896 0.76 MAP3K12 (0.74) MAP3K12
SCHEMBL22052464 0.75 MAP3K12 (0.68) MAP3K12
SCHEMBL22052028 0.75 MAP3K12 (0.73) MAP3K12
SCHEMBL16209931 0.75 MAP3K12 (1.00) MAP3K12

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 2230/4885

“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.