SCHEMBL4115347

SCHEMBL4115347

CCOC(=O)c1c(Nc2ccc(I)cc2)sc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 4/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 3/20 0.45
SYK P43405 1/20 0.43
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
ILK Q13418 1/20 0.41
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL4109923 0.83 MAP2K1 (0.56) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL4127775 0.75 CLK1 (0.50) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL4109917 0.73 MAP2K1 (0.45) MAPTCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL4107925 0.72 KDM4E (0.48) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL7699031 0.72 ILK (0.53) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL7096578 0.70 RAB9A (1.00) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL20564894 0.70 MAP2K1 (0.43)
SCHEMBL719584 0.69 KDM4E (0.58) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3120057 0.68 MAP2K1 (0.46) SMN1; SMN2RXFP1ALDH1A1
SCHEMBL16475087 0.68 KDM4E (0.57) MAPTRAB9ASMN1; SMN2NPC1CYP1A2

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 MAPT 2869/4885RAB9A 1435/4885SMN1; SMN2 3067/4885
US-20090149437-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP3K6, MAPK1, MAP3K20 MAPT 2869/4885RAB9A 1435/4885SMN1; SMN2 3067/4885
US-20130150573-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP2K2, MAPK1, MAP3K6 MAPT 3183/4885RAB9A 1611/4885SMN1; SMN2 2945/4885

“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.