SCHEMBL25839417

SCHEMBL25839417

CC(C)c1ccc(N2C[C@@H](C)N(C)C[C@@H]2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MGLL Q99685 1/20 0.37
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
HPGD P15428 1/20 0.35
NOTUM Q6P988 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MAPK1 P28482 1/20 0.33
DGKA P23743 1/20 0.32
DGKZ Q13574 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMO Q99835 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1048007 0.82 MAPT (0.40) L3MBTL1CDK4CCND1MEN1KMT2A
SCHEMBL4940436 0.82 DRD2 (0.40) CDK4CCND1MEN1KMT2AACHE
SCHEMBL12424155 0.82 MAPT (0.40) L3MBTL1CDK4CCND1MEN1KMT2A
SCHEMBL4940440 0.82 DRD2 (0.40) CDK4CCND1MEN1KMT2AACHE
SCHEMBL1048008 0.82 MAPT (0.40) L3MBTL1CDK4CCND1MEN1KMT2A
SCHEMBL13380438 0.78 MAPK1 (0.50) L3MBTL1CDK4CCND1HPGDMAPK1
SCHEMBL29310070 0.78 L3MBTL1 (0.41) L3MBTL1MGLLHPGDMCOLN3MAPK1
SCHEMBL29310074 0.78 L3MBTL1 (0.41) L3MBTL1MGLLHPGDMCOLN3MAPK1
SCHEMBL25839399 0.78 L3MBTL1 (0.41) L3MBTL1MGLLHPGDMCOLN3MAPK1
SCHEMBL23544823 0.77 L3MBTL1 (0.34) L3MBTL1NOTUMMEN1KMT2AACHE

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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 L3MBTL1 4396/4885MGLL 4420/4885CDK4 193/4885

“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.