SCHEMBL27048554

SCHEMBL27048554

CC(=O)Cc1cn(C(C)C)nn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CYP19A1 P11511 3/20 0.34
ACHE P22303 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
LRRK2 Q5S007 1/20 0.33
POLB P06746 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 1/20 0.32
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL14262395 0.86 CYP19A1 (0.37) CCNE1CDK2CYP19A1ACHEPOLB
SCHEMBL16674191 0.84 CYP1A2 (0.41) CCNE1CDK2CYP19A1ACHELRRK2
SCHEMBL23308741 0.81 CCNE1 (0.38) CCNE1CDK2CYP19A1GLAHTT
SCHEMBL25514792 0.80 CCNE1 (0.41) CCNE1CDK2CYP19A1HTT
SCHEMBL22906161 0.78 NOTUM (0.49)
SCHEMBL16884145 0.77 NOTUM (0.44) CYP19A1
SCHEMBL31181785 0.77 CYP19A1 (0.38) CYP19A1
SCHEMBL14434944 0.76 CYP19A1 (0.42) CYP19A1POLB
SCHEMBL27048556 0.76 CYP19A1 (0.46) CYP19A1GLA
SCHEMBL13233213 0.76 DDB1 (0.39) CCNE1CDK2

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-20240024497-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. 2024-01-25 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-20240024497-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES RNGTT, RNMT, DNPEP CCNE1 1288/4885CDK2 647/4885CYP19A1 3592/4885

“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.