SCHEMBL2260271

SCHEMBL2260271

Nc1ccc(OCCN2CCCC2=O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CTSS P25774 3/20 0.44
PDK2 Q15119 5/20 0.42
EGLN2 Q96KS0 1/20 0.41
BRD4 O60885 1/20 0.41
CTSK P43235 1/20 0.40
LTA4H P09960 1/20 0.40
ADRA1B P35368 1/20 0.40
EGFR P00533 3/20 0.40
ITK Q08881 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL1025313 0.78 LTA4H (0.61) KMT2AMEN1LTA4HKDR
SCHEMBL2229518 0.78 POLB (0.56) KMT2AMEN1POLBMAPK1CCNC
SCHEMBL20204653 0.77 MEN1 (0.53) KMT2AMEN1POLBCCNCCDK8
SCHEMBL3442370 0.77 LTA4H (0.60) KMT2AMEN1LTA4HKDR
Hydrochloric Acid SCHEMBL1641707 0.77 LTA4H (0.60) KMT2AMEN1LTA4HKDR
SCHEMBL2227579 0.76 POLB (0.69) KMT2AMEN1POLBMAPK1PDK2
SCHEMBL2227979 0.76 KMT2A (0.52) KMT2AMEN1POLBMAPK1CCNC
SCHEMBL14910119 0.76 KMT2A (0.49) KMT2AMEN1POLBMAPK1CTSS
SCHEMBL13322353 0.75 POLB (0.43) KMT2AMEN1POLBCCNCCDK8
SCHEMBL1657335 0.74 MAPK1 (0.66) KMT2APOLBMAPK1ADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-08-04 US disclosed
US-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 US disclosed
EP-2197876-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS Glaxosmithkline LLC (US) 2010-06-23 EP disclosed
EP-1828185-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
WO-2009032667-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 WO disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 US disclosed
EP-1828185-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2007-09-05 EP disclosed
WO-2006068826-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-29 WO 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-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 KMT2A 2230/4885MEN1 2388/4885POLB 2533/4885
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 KMT2A 2866/4885MEN1 3489/4885POLB 1854/4885

“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.