SCHEMBL3532181

SCHEMBL3532181

N#Cc1c(O)nsc1Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
RECQL P46063 1/20 0.53
MAP2K1 Q02750 13/20 0.45
RAF1 P04049 5/20 0.45
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LTA4H P09960 1/20 0.37
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37

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
SCHEMBL3533411 0.89 HTT (0.50) HTTRECQLMAP2K1RAF1ALDH1A1
SCHEMBL5940997 0.88 HTT (0.46) HTTRECQLMAP2K1RAF1ALDH1A1
SCHEMBL5941099 0.88 HTT (0.64) HTTRECQLMAP2K1ALDH1A1LMNA
SCHEMBL3527060 0.87 HTT (0.68) HTTRECQLMAP2K1ALDH1A1LMNA
SCHEMBL2436285 0.84 HTT (0.49) HTTRECQLALDH1A1LMNAPOLB
SCHEMBL5941105 0.82 HTT (0.53) HTTRECQLMAP2K1ALDH1A1LMNA
SCHEMBL5941004 0.82 HTT (0.53) HTTRECQLMAP2K1ALDH1A1LMNA
SCHEMBL5941002 0.82 HTT (0.53) HTTRECQLMAP2K1ALDH1A1LMNA
SCHEMBL5941041 0.81 HTT (0.52) HTTRECQLMAP2K1ALDH1A1LMNA
SCHEMBL21917165 0.80 HTT (0.48) HTTRECQLALDH1A1LMNAPOLB

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 5 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-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
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.