SCHEMBL4126153

SCHEMBL4126153

N#Cc1c(Nc2ccc(Br)cc2F)sc2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.56
EGFR P00533 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ATM Q13315 1/20 0.36
RET P07949 1/20 0.35
KIF5B P33176 1/20 0.35
KDR P35968 1/20 0.35
SHMT2 P34897 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3120158 0.86 CLK1 (0.41) CLK1HDAC3HDAC1HDAC6
SCHEMBL4116145 0.76 CLK1 (0.53) CLK1HDAC3HDAC1HDAC6ATM
SCHEMBL4123171 0.75 PIP4K2A (0.36) CLK1ATMGAALMNAMEN1
SCHEMBL4121176 0.75 SRC (0.40) ATMMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL4127775 0.74 CLK1 (0.50) CLK1HDAC3HDAC1HDAC6ATM
SCHEMBL28777744 0.73 PRMT5 (0.34) ATM
SCHEMBL4115691 0.70 CLK1 (0.46) CLK1HDAC3HDAC1HDAC6SHMT2
SCHEMBL3488674 0.68 CLK1 (0.49) CLK1EGFRRETKIF5BKDR
SCHEMBL4275254 0.68 KDR (0.49) CLK1EGFRHDAC3HDAC1HDAC6
SCHEMBL31544743 0.66 CLK1 (0.41) CLK1HDAC3HDAC1HDAC6ATM

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 CLK1 538/4885EGFR 1141/4885HDAC3 1752/4885
US-20090149437-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP3K6, MAPK1, MAP3K20 CLK1 538/4885EGFR 1141/4885HDAC3 1752/4885
US-20130150573-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP2K2, MAPK1, MAP3K6 CLK1 570/4885EGFR 1300/4885HDAC3 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.