SCHEMBL3553849

SCHEMBL3553849

C[C@H](Nc1nccc(-c2cnc3n2CCCC3)n1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.48
MAPK13 O15264 6/20 0.48
MAPK12 P53778 6/20 0.48
MAPK11 Q15759 6/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDH1 O75874 4/20 0.46
FLT3 P36888 2/20 0.42
LCK P06239 2/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL3551265 0.81 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL3548331 0.81 LMNA (0.45) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL4496950 0.81 NPC1 (0.51) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL4476709 0.78 PRKCD (0.49) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL3556311 0.73 DYRK1A (0.56) MAPK14MAPK13MAPK12MAPK11FLT3
SCHEMBL3551857 0.73 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL3548953 0.71 FLT3 (0.49) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL3555802 0.71 FLT3 (0.54) MAPK14MAPK13MAPK12MAPK11FLT3
SCHEMBL3554558 0.70 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL19191951 0.70 IDH1 (0.82) IDH1

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 MAPK14 680/4885MAPK13 678/4885MAPK12 957/4885

“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.