SCHEMBL4121176

SCHEMBL4121176

N#Cc1c(Nc2ccc(I)cc2Cl)sc2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
MAP2K1 Q02750 6/20 0.37
MAP2K2 P36507 4/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.32
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4123171 0.86 PIP4K2A (0.36) MAP2K1MAPTATMKMT2ASMN1; SMN2
SCHEMBL3120158 0.86 CLK1 (0.41) MAP2K1MAP2K2KDM4E
SCHEMBL28777744 0.84 PRMT5 (0.34) ATM
SCHEMBL4126153 0.75 CLK1 (0.56) MAPTMAPK1ATMKMT2ASMN1; SMN2
SCHEMBL23099071 0.70 LIMK1 (0.37) KDM4E
SCHEMBL3975260 0.66 MAP2K1 (0.70) MAP2K1MAP2K2
SCHEMBL949843 0.65 MAP2K1 (0.44) MAP2K1MAP2K2
SCHEMBL949141 0.65 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL30033040 0.65 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL4107958 0.65 MAP2K1 (0.52) 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 14 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
CN-101379067-B Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA SA 2011-03-23 CN disclosed
US-20090149437-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 US disclosed
CN-101379067-A Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA SA (BE) 2009-03-04 CN 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 SRC 262/4885MAP2K1 25/4885MAP2K2 11/4885
US-20090149437-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP3K6, MAPK1, MAP3K20 SRC 262/4885MAP2K1 25/4885MAP2K2 11/4885
US-20130150573-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP2K2, MAPK1, MAP3K6 SRC 434/4885MAP2K1 4/4885MAP2K2 1/4885

“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.