SCHEMBL684468

SCHEMBL684468

Cc1cc(F)c(F)c2c1[nH]c(=O)n2-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.43
NTRK2 Q16620 5/20 0.43
IGF1R P08069 4/20 0.43
FGFR1 P11362 4/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL684564 0.76 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4716991 0.68 DAO (0.58) NTRK1NTRK2IGF1RFGFR1GAA
SCHEMBL19050790 0.68 MAPK13 (0.39) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL15558596 0.65 ALDH1A1 (0.70) NTRK1NTRK2IGF1RFGFR1ALDH1A1
SCHEMBL9652503 0.65 SMN1; SMN2 (0.70) NTRK1NTRK2IGF1RFGFR1ALDH1A1
SCHEMBL28549764 0.63 NTRK1 (0.62) NTRK1NTRK2IGF1RFGFR1ALDH1A1
SCHEMBL2337291 0.63 GSK3A (0.67) NTRK1NTRK2IGF1RFGFR1ALDH1A1
SCHEMBL5198556 0.63 NTRK1 (0.72) NTRK1NTRK2IGF1RFGFR1ALDH1A1
SCHEMBL21305533 0.62 NTRK1 (0.54) NTRK1NTRK2IGF1RFGFR1ALDH1A1
SCHEMBL30743927 0.62 NTRK1 (0.54) NTRK1NTRK2IGF1RFGFR1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648116-B2 Derivatives of N-(arylamino) sulfonamides including polymorphs as inhibitors of MEK as well as compositions, methods of use and methods for preparing the same ARDEA BIOSCIENCES, INC. (US) 2014-02-11 US disclosed
US-20110060049-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME ARDEA BIOSCIENCES, INC. (US) 2011-03-10 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 (1 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-20110060049-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME NRAS, BRAF, MAP3K2 NTRK1 1418/4885NTRK2 2710/4885IGF1R 1933/4885

“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.