SCHEMBL4230100

SCHEMBL4230100

CNC(=O)c1cc(F)c(C)c(-c2ccc3c(cnn3-c3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.51
PGR P06401 3/20 0.51
SMO Q99835 2/20 0.46
MAPK8 P45983 3/20 0.45
MAPK10 P53779 3/20 0.45
MAPK14 Q16539 4/20 0.42
AR P10275 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41

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
SCHEMBL4221703 0.90 NR3C1 (0.55) NR3C1PGRSMOMAPK8MAPK10
SCHEMBL4215115 0.89 NR3C1 (0.50) NR3C1PGRSMOMAPK8MAPK10
SCHEMBL4217208 0.89 SMO (0.50) NR3C1PGRSMOMAPK8MAPK10
SCHEMBL4219552 0.88 AR (0.54) NR3C1PGRSMOMAPK8MAPK10
SCHEMBL4219336 0.88 HPGDS (0.55) MAPK14MAPK13
SCHEMBL4219608 0.88 SMO (0.48) NR3C1PGRSMOMAPK8MAPK10
SCHEMBL4221686 0.88 NR3C1 (0.47) NR3C1PGRSMOMAPK8MAPK10
SCHEMBL4221389 0.88 NR3C1 (0.54) NR3C1PGRSMOMAPK8MAPK10
SCHEMBL4220428 0.86 HPGDS (0.51) MAPK14MAPK13
SCHEMBL4219613 0.86 SMO (0.47) NR3C1PGRSMOMAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP disclosed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP 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-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPK7 NR3C1 871/4885PGR 2992/4885SMO 4335/4885

“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.