SCHEMBL4116131

SCHEMBL4116131

O=C(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.41
MAP2K2 P36507 9/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CLK1 P49759 1/20 0.37

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
SCHEMBL4121753 0.87 MAP2K1 (0.44) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL30033040 0.85 MAP2K1 (0.51) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL949843 0.85 MAP2K1 (0.44) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL949141 0.85 MAP2K1 (0.51) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL3120057 0.84 MAP2K1 (0.46) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL4107958 0.84 MAP2K1 (0.52) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL30034530 0.82 MAP2K1 (0.57) MAP2K1MAP2K2
SCHEMBL20565262 0.82 MAP2K1 (0.57) MAP2K1MAP2K2
SCHEMBL4109917 0.82 MAP2K1 (0.45) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL4127886 0.82 MAP2K1 (0.44) MAP2K1MAP2K2HDAC3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150573-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2013-06-13 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 MAP2K1 25/4885MAP2K2 11/4885HDAC3 1752/4885
US-20090149437-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP3K6, MAPK1, MAP3K20 MAP2K1 25/4885MAP2K2 11/4885HDAC3 1752/4885
US-20130150573-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP2K2, MAPK1, MAP3K6 MAP2K1 4/4885MAP2K2 1/4885HDAC3 2920/4885

“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.