SCHEMBL25839399

SCHEMBL25839399

CC(C)c1ccc(N2CCN(C)C[C@@H]2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
GSK3B P49841 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HPGD P15428 1/20 0.38
TRPV4 Q9HBA0 2/20 0.36
MGLL Q99685 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SMO Q99835 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
HSF1 Q00613 1/20 0.34

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
SCHEMBL29310070 1.00 L3MBTL1 (0.41) L3MBTL1MAPK1GSK3BDRD2DRD4
SCHEMBL29310074 1.00 L3MBTL1 (0.41) L3MBTL1MAPK1GSK3BDRD2DRD4
SCHEMBL188063 0.83 KDM4E (0.52) L3MBTL1MAPK1GSK3BDRD2DRD4
SCHEMBL17809480 0.83 DRD2 (0.50) MAPK1DRD2DRD4
SCHEMBL20884848 0.83 KDM4E (0.52) L3MBTL1MAPK1GSK3BDRD2DRD4
SCHEMBL17809477 0.83 DRD2 (0.50) MAPK1DRD2DRD4
SCHEMBL14922270 0.83 DRD2 (0.50) MAPK1DRD2DRD4
SCHEMBL189064 0.83 KDM4E (0.52) L3MBTL1MAPK1GSK3BDRD2DRD4
SCHEMBL19003699 0.81 SMN1; SMN2 (0.47) L3MBTL1MAPK1GSK3BHRH3
SCHEMBL2610122 0.81 SMN1; SMN2 (0.47) L3MBTL1MAPK1GSK3BHRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
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 (2 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 4396/4885MAPK1 126/4885GSK3B 556/4885
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B L3MBTL1 1375/4885MAPK1 2479/4885GSK3B 315/4885

“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.