SCHEMBL3555067

SCHEMBL3555067

C[C@H](Nc1ncc(Br)c(-c2cnc3cnccn23)n1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
MAPK13 O15264 3/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
IDH1 O75874 3/20 0.40
ATP1A1 P05023 3/20 0.40
ATP1B1 P05026 3/20 0.40
ATP1A3 P13637 3/20 0.40
ATP1B2 P14415 3/20 0.40
ATP1A2 P50993 3/20 0.40
ATP1B3 P54709 3/20 0.40
FXYD2 P54710 3/20 0.40
ATP1A4 Q13733 3/20 0.40
IGF1R P08069 3/20 0.39
NTRK1 P04629 2/20 0.39
LCK P06239 3/20 0.39
HDAC3 O15379 3/20 0.39

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
SCHEMBL3548956 0.88 IGF1R (0.45) IDH1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL3555366 0.84 IGF1R (0.41) MAPK13MAPK12MAPK11MAPK14IDH1
SCHEMBL3551857 0.83 MAPK13 (0.49) BRD4JAK2JAK3MAPK13MAPK12
SCHEMBL3554499 0.79 IGF1R (0.39) MAPK13MAPK12MAPK11MAPK14IDH1
SCHEMBL3551540 0.78 IDH1 (0.39) MAPK13MAPK12MAPK11MAPK14IDH1
SCHEMBL3556828 0.77 HDAC6 (0.38) MAPK13MAPK12MAPK11MAPK14IDH1
SCHEMBL3552664 0.76 HDAC6 (0.42) MAPK13MAPK12MAPK11MAPK14IDH1
SCHEMBL3551701 0.76 HDAC3 (0.39) IDH1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL3553523 0.76 PLK1 (0.44) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3551698 0.74 HDAC3 (0.41) MAPK14IDH1IGF1RNTRK1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A BRD4 38/4885JAK2 594/4885JAK3 291/4885

“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.