SCHEMBL3533411

SCHEMBL3533411

N#Cc1c(O)nsc1Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
RECQL P46063 1/20 0.50
MAP2K1 Q02750 4/20 0.41
RAF1 P04049 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SYK P43405 1/20 0.40
KDR P35968 1/20 0.39
CSNK2A1 P68400 2/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3532181 0.89 HTT (0.53) HTTRECQLMAP2K1RAF1ALDH1A1
SCHEMBL2437350 0.86 KDM4E (0.52) HTTRECQLKDRALDH1A1MAPT
SCHEMBL3527060 0.84 HTT (0.68) HTTRECQLMAP2K1ALDH1A1MAPT
SCHEMBL5941099 0.82 HTT (0.64) HTTRECQLMAP2K1ALDH1A1MAPT
SCHEMBL5941057 0.81 HTT (0.49) HTTRECQLSYKKDRALDH1A1
SCHEMBL21917165 0.80 HTT (0.48) HTTRECQLSIRT2SIRT1SYK
SCHEMBL5941015 0.80 MAP2K1 (0.54) HTTRECQLMAP2K1ALDH1A1MAPT
SCHEMBL2437731 0.80 HTT (0.55) HTTRECQLMAP2K1ALDH1A1MAPT
SCHEMBL2434751 0.80 HTT (0.48) HTTRECQLMAP2K1ALDH1A1MAPT
SCHEMBL5941107 0.80 LMNA (0.51) HTTRECQLMAP2K1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652047-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2010-01-26 US disclosed
US-7652047-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2010-01-26 US disclosed
US-7652047-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2010-01-26 US disclosed
US-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-12-11 US disclosed
US-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-12-11 US disclosed
US-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-12-11 US disclosed
US-7429667-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-09-30 US disclosed
US-7429667-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-09-30 US disclosed
US-7429667-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-09-30 US disclosed
WO-2006133417-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2006-12-14 WO disclosed
US-20060194802-A1 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. 2006-08-31 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 (2 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-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS BRAF, MAP4K2, MAP3K4 HTT 2444/4885RECQL 4467/4885MAP2K1 45/4885
US-20060194802-A1 Phenylamino isothiazole carboxamidines as MEK inhibitors BRAF, MAP4K2, MAP3K4 HTT 2444/4885RECQL 4467/4885MAP2K1 45/4885

“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.