SCHEMBL2645652

SCHEMBL2645652

CCS(=O)(=O)c1ccc(Oc2cc(Oc3c(F)cccc3C(N)=O)c3nc(-c4cnccn4)[nH]c3c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.37
CHEK2 O96017 2/20 0.35
GCK P35557 5/20 0.35
NR3C1 P04150 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PARP1 P09874 5/20 0.34
PKN1 Q16512 3/20 0.34
PKN2 Q16513 3/20 0.34
MAP4K4 O95819 2/20 0.33
PIM1 P11309 2/20 0.33
PHKG2 P15735 2/20 0.33
CLK2 P49760 2/20 0.33
GSK3A P49840 2/20 0.33
DYRK1A Q13627 2/20 0.33
PIM3 Q86V86 2/20 0.33
AURKB Q96GD4 2/20 0.33
PRKD2 Q9BZL6 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33

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
SCHEMBL2644976 0.92 GCK (0.42) DHODHGCKCYP3A4CYP2C19PARP1
SCHEMBL2643868 0.92 GCK (0.37) DHODHGCKCYP3A4CYP2C9CYP2C19
SCHEMBL2643695 0.88 GCK (0.44) GCKCYP3A4CYP2C9CYP2C19
SCHEMBL2643771 0.86 GCK (0.34) DHODHGCKCYP3A4CYP2C9CYP2C19
SCHEMBL2646807 0.86 GCK (0.36) DHODHGCKCYP3A4CYP2C9CYP2C19
SCHEMBL2645048 0.86 GCK (0.37) DHODHGCKCYP3A4CYP2C9CYP2C19
SCHEMBL2645184 0.85 DHODH (0.40) DHODHCHEK2GCKCYP3A4CYP2C19
SCHEMBL2646546 0.84 GCK (0.42) DHODHGCKCYP3A4CYP2C19CLK2
SCHEMBL2644582 0.84 CBFB (0.44) GCKCYP3A4CYP2C19ALOX15
SCHEMBL2646922 0.83 GCK (0.43) DHODHGCKCYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DHODH 3952/4885CHEK2 2611/4885GCK 1/4885

“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.