SCHEMBL3441981

SCHEMBL3441981

CN(Cc1cccc(N)c1)C(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
RIPK1 Q13546 4/20 0.51
HDAC4 P56524 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 1/20 0.44
AOC3 Q16853 6/20 0.43
MGLL Q99685 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 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
SCHEMBL13738659 0.83 RIPK1 (0.72) RIPK1HDAC4HDAC6HDAC3HDAC1
SCHEMBL3442205 0.82 HSD11B1 (0.43) HSD11B1RIPK1AOC3MEN1KMT2A
SCHEMBL24166883 0.81 HSD11B1 (0.58) HSD11B1RIPK1AOC3HSD17B1HSD17B2
SCHEMBL3650924 0.81 HSD11B1 (0.58) HSD11B1RIPK1AOC3MEN1KMT2A
SCHEMBL14269830 0.81 RIPK1 (0.50) RIPK1HDAC4HDAC6HDAC3HDAC1
SCHEMBL6956921 0.81 GRIN2D (0.45) HSD11B1HDAC4HDAC6HDAC3HDAC1
SCHEMBL2316926 0.80 RIPK1 (0.65) RIPK1HDAC4HDAC6HDAC3HDAC1
SCHEMBL16366240 0.78 GYS1 (0.39) HSD11B1
SCHEMBL3441758 0.77 PYCR1 (0.53) RIPK1MEN1KMT2A
SCHEMBL3442223 0.77 EGFR (0.40) HSD11B1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 US disclosed
US-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 US disclosed
US-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 US disclosed
EP-1828185-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 US disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 US disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 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-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 HSD11B1 4839/4885RIPK1 628/4885HDAC4 4284/4885

“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.