SCHEMBL2645975

SCHEMBL2645975

CSc1nc2c(Oc3ccc(F)cc3)cc(Oc3cccnc3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.40
FFAR4 Q5NUL3 2/20 0.39
CHEK2 O96017 1/20 0.38
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK14 Q16539 3/20 0.37
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR2 O95136 1/20 0.35
CYP11B1 P15538 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
PPARD Q03181 1/20 0.34
HTT P42858 1/20 0.34
GRM5 P41594 1/20 0.34
HIPK4 Q8NE63 1/20 0.34

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
SCHEMBL2643874 0.84 CYP19A1 (0.42) CYP19A1FFAR4CHEK2LMNATDP1
SCHEMBL2645836 0.83 CHEK2 (0.42) CYP19A1FFAR4CHEK2LMNATDP1
SCHEMBL2645941 0.82 FFAR4 (0.44) CYP19A1FFAR4CHEK2LMNATDP1
SCHEMBL2644929 0.82 CHEK2 (0.41) CYP19A1FFAR4CHEK2LMNATDP1
SCHEMBL2646501 0.82 CBFB (0.41) CYP19A1FFAR4CHEK2LMNATDP1
SCHEMBL2645342 0.81 CYP19A1 (0.42) CYP19A1FFAR4CHEK2LMNATDP1
SCHEMBL2645922 0.81 CBFB (0.52) ALDH1A1SMN1; SMN2GRM5
SCHEMBL2646787 0.80 CBFB (0.40) CYP19A1FFAR4CHEK2LMNATDP1
SCHEMBL2645624 0.80 CHEK2 (0.38) CYP19A1FFAR4CHEK2LMNATDP1
SCHEMBL2646329 0.80 CYP2E1 (0.38) CYP19A1FFAR4CHEK2LMNATDP1

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 CYP19A1 3688/4885FFAR4 1365/4885CHEK2 2611/4885

“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.