SCHEMBL22484670

SCHEMBL22484670

Cc1nnc2n1[C@H](C)CC2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.36
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.32

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
SCHEMBL21152439 1.00 MAP3K5 (0.36) MAP3K5POLBBRD4
SCHEMBL25100331 0.88 POLB (0.41) MAP3K5POLB
SCHEMBL22484754 0.88 POLB (0.41) MAP3K5POLB
SCHEMBL12950555 0.74
SCHEMBL21153017 0.74 MEN1 (0.33) MAP3K5
SCHEMBL22485322 0.74 DPP4 (0.33) MAP3K5
SCHEMBL22485317 0.74 DPP4 (0.33) MAP3K5
SCHEMBL21152441 0.74 DPP4 (0.33) MAP3K5
SCHEMBL21152461 0.74 DPP4 (0.33) MAP3K5POLB
SCHEMBL21783956 0.72 POLB (0.30) POLB

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-20200308193-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-10-01 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-20200308193-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 MAP3K5 46/4885POLB 4580/4885BRD4 2043/4885

“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.