SCHEMBL2646546

SCHEMBL2646546

CS(=O)(=O)c1ccc(Oc2cc(Oc3c(F)cccc3F)c3nc(-c4cnccn4)[nH]c3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.42
DHODH Q02127 2/20 0.37
METAP2 P50579 1/20 0.34
CBFB Q13951 5/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
WNT1 P04628 1/20 0.31
TGFBR1 P36897 1/20 0.31
CLK2 P49760 1/20 0.31
ATR Q13535 1/20 0.31

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
SCHEMBL2644834 0.92 GCK (0.39) GCKDHODHMETAP2CBFB
SCHEMBL2643868 0.92 GCK (0.37) GCKDHODHMETAP2CBFBCYP3A4
SCHEMBL2645888 0.91 CBFB (0.43) GCKCBFBALDH1A1TP53CYP3A4
SCHEMBL2644558 0.90 DHODH (0.40) GCKDHODHMETAP2CBFBATR
SCHEMBL2645990 0.88 GCK (0.42) GCKDHODHMETAP2CBFBALDH1A1
SCHEMBL2646434 0.88 GCK (0.43) GCKDHODHMETAP2CBFBWNT1
SCHEMBL2646890 0.86 GCK (0.41) GCKCBFBALDH1A1TP53CYP3A4
SCHEMBL2646922 0.86 GCK (0.43) GCKDHODHCYP3A4CYP2D6CYP2C19
SCHEMBL2643771 0.85 GCK (0.34) GCKDHODHCBFBCYP3A4CYP2C19
SCHEMBL2645652 0.84 DHODH (0.37) GCKDHODHCYP3A4ALOX15CYP2C19

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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US claimed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP claimed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 GCK 1/4885DHODH 3952/4885METAP2 2249/4885

“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.