SCHEMBL4214906

SCHEMBL4214906

Cc1ccc(C(=O)Nc2c(C)cnn2C)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CXCR2 P25025 3/20 0.37
LIPE Q05469 6/20 0.36
UCHL1 P09936 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 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
SCHEMBL379866 0.83 MAPK14 (0.46) KMT2ACXCR2UCHL1NPC1RAB9A
SCHEMBL14098867 0.79 KMT2A (0.52) KMT2AMEN1NPC1RAB9A
SCHEMBL4786480 0.77 HDAC6 (0.39) KMT2AMEN1CA1CA2CA9
SCHEMBL21911828 0.76 NPC1 (0.50) KMT2AMEN1CXCR2NPC1RAB9A
SCHEMBL16566639 0.76 THRB (0.51) KMT2AMEN1CXCR2NPC1RAB9A
SCHEMBL396898 0.76 MAPK14 (0.49) KMT2AMEN1CXCR2UCHL1MAPK1
SCHEMBL1710487 0.76 HDAC1 (0.39) KMT2AMEN1CXCR2LIPENPC1
SCHEMBL22468530 0.75 MAPK14 (0.51) KMT2AMEN1NPC1RAB9A
SCHEMBL3228174 0.74 CXCR2 (0.55) KMT2AMEN1CXCR2NPC1RAB9A
SCHEMBL4220570 0.74 BRD4 (0.44) KMT2AMEN1CXCR2NPC1RAB9A

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-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

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 KMT2A 4256/4885MEN1 3735/4885CXCR2 183/4885

“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.