SCHEMBL213876

SCHEMBL213876

CC(C)(C)OC(=O)N1CCN(CCCOc2ccc3[nH]c(NC(=O)c4[nH]cnc4C(=O)Nc4c(Cl)cccc4Cl)nc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.42
ATM Q13315 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL3992127 0.90 HRH2 (0.41) EPHX2
SCHEMBL214297 0.89 EPHX2 (0.44) EPHX2
SCHEMBL216122 0.88 EPHX2 (0.43) EPHX2
SCHEMBL214368 0.88 DRD3 (0.41) EPHX2ATMPDE3BPDE3AMEN1
SCHEMBL216125 0.85 ATM (0.41) EPHX2ATMPDE3BPDE3AMEN1
SCHEMBL13320334 0.84 MEN1 (0.41) EPHX2ATMPDE3BPDE3AMEN1
SCHEMBL2735389 0.84 LMNA (0.45) EPHX2NPSR1
SCHEMBL214760 0.83 MEN1 (0.41) EPHX2ATMPDE3BPDE3AMEN1
SCHEMBL214619 0.82 ATM (0.41) EPHX2ATMMEN1KMT2AMAPT
SCHEMBL2735428 0.82 ATM (0.41) EPHX2ATMMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 EPHX2 2115/4885ATM 764/4885PDE3B 1167/4885

“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.