SCHEMBL4116145

SCHEMBL4116145

CNC(=O)c1c(Nc2ccc(Br)cc2F)sc2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.53
GAA P10253 2/20 0.42
MAP2K1 Q02750 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SHMT2 P34897 2/20 0.39
NUDT1 P36639 1/20 0.39
PTGFR P43088 1/20 0.38
ATM Q13315 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4127886 0.88 MAP2K1 (0.44) CLK1MAP2K1HDAC3HDAC1HDAC6
SCHEMBL4127775 0.85 CLK1 (0.50) CLK1GAAMAP2K1HDAC3HDAC1
SCHEMBL4115691 0.83 CLK1 (0.46) CLK1GAAMAP2K1HDAC3HDAC1
SCHEMBL24350196 0.78 ATM (0.44) CLK1MAP2K1HDAC3HDAC1HDAC6
SCHEMBL3123934 0.77 MAP2K1 (0.42) CLK1MAP2K1HDAC3HDAC1HDAC6
SCHEMBL3120057 0.77 MAP2K1 (0.46) CLK1MAP2K1HDAC3HDAC1HDAC6
SCHEMBL24349945 0.77 ATM (0.43) CLK1MAP2K1ATMLMNANPC1
SCHEMBL4126153 0.76 CLK1 (0.56) CLK1GAAHDAC3HDAC1HDAC6
SCHEMBL949843 0.75 MAP2K1 (0.44) CLK1MAP2K1HDAC3HDAC1HDAC6
SCHEMBL30033040 0.75 MAP2K1 (0.51) CLK1MAP2K1HDAC3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604051-B2 Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA S.A. (BE) 2013-12-10 US claimed
US-20130150573-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2013-06-13 US claimed
US-8394822-B2 Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA, S.A. (BE) 2013-03-12 US claimed
US-20120329774-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2012-12-27 US claimed
US-8283359-B2 Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA S.A. (BE) 2012-10-09 US claimed
US-20090149437-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 US claimed
US-8604051-B2 Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA S.A. (BE) 2013-12-10 US disclosed
US-20130150573-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2013-06-13 US disclosed
US-8394822-B2 Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA, S.A. (BE) 2013-03-12 US disclosed
US-20120329774-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2012-12-27 US disclosed
US-8283359-B2 Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA S.A. (BE) 2012-10-09 US disclosed
US-20090149437-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 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 (3 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-20120329774-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP3K6, MAPK1, MAP3K20 CLK1 538/4885GAA 4229/4885MAP2K1 25/4885
US-20090149437-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP3K6, MAPK1, MAP3K20 CLK1 538/4885GAA 4229/4885MAP2K1 25/4885
US-20130150573-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP2K2, MAPK1, MAP3K6 CLK1 570/4885GAA 3979/4885MAP2K1 4/4885

“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.