SCHEMBL2646069

SCHEMBL2646069

CS(=O)(=O)c1ccc(Oc2cc(Oc3ccccc3C#N)c3nc(-c4cnccn4)[nH]c3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.42
GCK P35557 3/20 0.41
CYP19A1 P11511 1/20 0.36
METAP2 P50579 1/20 0.35
LRRK2 Q5S007 1/20 0.35
BRD4 O60885 1/20 0.33
CBFB Q13951 4/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN9A Q15858 2/20 0.33
SLC22A12 Q96S37 2/20 0.32
MAPK14 Q16539 1/20 0.31
FFAR1 O14842 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
SCHEMBL2644760 0.93 GCK (0.42) DHODHGCKMETAP2CBFBALDH1A1
SCHEMBL2645416 0.92 DHODH (0.41) DHODHGCKCYP19A1METAP2LRRK2
SCHEMBL2644834 0.89 GCK (0.39) DHODHGCKCYP19A1METAP2CBFB
SCHEMBL2646884 0.86 GCK (0.43) DHODHGCKMETAP2LRRK2CBFB
SCHEMBL2645990 0.86 GCK (0.42) DHODHGCKMETAP2CBFBALDH1A1
SCHEMBL2646359 0.85 CBFB (0.43) DHODHGCKCBFBALDH1A1TP53
SCHEMBL2645944 0.85 SLC22A12 (0.35) DHODHGCKCYP19A1SLC22A12
SCHEMBL2646258 0.84 CYP19A1 (0.35) DHODHGCKCYP19A1SLC22A12
SCHEMBL2646546 0.84 GCK (0.42) DHODHGCKMETAP2CBFBALDH1A1
SCHEMBL2644109 0.82 GCK (0.39) GCKMETAP2CBFBALDH1A1TP53

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 3952/4885GCK 1/4885CYP19A1 3688/4885

“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.