SCHEMBL22485317

SCHEMBL22485317

CC(C)c1nnc2n1[C@@H](C)CC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
MAP3K5 Q99683 1/20 0.32
CCNT1 O60563 1/20 0.30
CDK9 P50750 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
SCHEMBL21152441 1.00 DPP4 (0.33) DPP4MAP3K5CCNT1CDK9
SCHEMBL22485322 1.00 DPP4 (0.33) DPP4MAP3K5CCNT1CDK9
SCHEMBL22484668 0.89
SCHEMBL22484753 0.89
SCHEMBL22485042 0.77 DPP4 (0.33) DPP4
SCHEMBL22484660 0.77 DPP4 (0.31) DPP4
SCHEMBL22484662 0.77 DPP4 (0.31) DPP4
SCHEMBL22484659 0.77 DPP4 (0.31) DPP4
SCHEMBL22484671 0.77 DPP4 (0.33) DPP4
SCHEMBL22484670 0.74 MAP3K5 (0.36) MAP3K5

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 DPP4 2104/4885MAP3K5 46/4885CCNT1 3515/4885

“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.