SCHEMBL4131897

SCHEMBL4131897

O=C(NCC(O)CO)c1c(Nc2ccc(I)cc2F)sc2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.55
MAP2K2 P36507 8/20 0.55
PRKCZ Q05513 1/20 0.55
IARS2 Q9NSE4 1/20 0.55
BRAF P15056 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K5 Q13163 1/20 0.40

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
SCHEMBL4115691 0.89 CLK1 (0.46) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL30033668 0.87 MAP2K1 (0.59) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL20565258 0.87 MAP2K1 (0.59) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL20565257 0.87 MAP2K1 (0.59) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4127886 0.83 MAP2K1 (0.44) MAP2K1MAP2K2
SCHEMBL949843 0.82 MAP2K1 (0.44) MAP2K1MAP2K2
SCHEMBL30033040 0.82 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL949141 0.82 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL20565262 0.81 MAP2K1 (0.57) MAP2K1MAP2K2
SCHEMBL30034530 0.81 MAP2K1 (0.57) MAP2K1MAP2K2

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 MAP2K1 25/4885MAP2K2 11/4885PRKCZ 1308/4885
US-20090149437-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP3K6, MAPK1, MAP3K20 MAP2K1 25/4885MAP2K2 11/4885PRKCZ 1308/4885
US-20130150573-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP2K2, MAPK1, MAP3K6 MAP2K1 4/4885MAP2K2 1/4885PRKCZ 953/4885

“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.