Sugi Predict

Sugi Predict / Compounds / SCHEMBL4127775

SCHEMBL4127775

SCHEMBL4127775

CCOC(=O)c1c(Nc2ccc(Br)cc2F)sc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.50
▸ ALOX5 P09917 6/20 0.44
▸ MAP2K1 Q02750 2/20 0.43
▸ MAP2K2 P36507 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PTGES O14684 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 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
SCHEMBL4109923 0.88 MAP2K1 (0.56) CLK1MAP2K1MAP2K2MAPTNPC1
SCHEMBL4116145 0.85 CLK1 (0.53) CLK1MAP2K1NPC1RAB9AHPGD
SCHEMBL4109917 0.79 MAP2K1 (0.45) CLK1MAP2K1MAP2K2MAPTCYP1A2
SCHEMBL4115691 0.79 CLK1 (0.46) CLK1MAP2K1MAP2K2HDAC3HDAC1
SCHEMBL24350189 0.78 KDM4E (0.40) CLK1MAP2K1MAP2K2MAPTNPC1
SCHEMBL24350196 0.77 ATM (0.44) CLK1MAP2K1MAP2K2NPC1RAB9A
SCHEMBL24349945 0.76 ATM (0.43) CLK1MAP2K1MAP2K2MAPTNPC1
SCHEMBL20564894 0.76 MAP2K1 (0.43) CLK1MAP2K1MAP2K2HDAC3HDAC1
SCHEMBL4115347 0.75 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3120057 0.74 MAP2K1 (0.46) CLK1MAP2K1MAP2K2SMN1; SMN2HDAC3

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 6 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 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 CLK1 538/4885ALOX5 896/4885MAP2K1 25/4885
US-20090149437-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP3K6, MAPK1, MAP3K20 CLK1 538/4885ALOX5 896/4885MAP2K1 25/4885
US-20130150573-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP2K2, MAPK1, MAP3K6 CLK1 570/4885ALOX5 513/4885MAP2K1 4/4885

“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.