SCHEMBL5128404

SCHEMBL5128404

CN(CCCNc1c(N)cccc1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.41
LCK P06239 2/20 0.37
AAK1 Q2M2I8 1/20 0.36
CXCL8 P10145 1/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
DRD2 P14416 1/20 0.33
PDK2 Q15119 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
BRD4 O60885 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL25341607 0.86 METAP2 (0.41) METAP2AAK1FPR3FPR2TRPV4
SCHEMBL25344580 0.84 METAP2 (0.38) METAP2AAK1FPR3FPR2TRPV4
SCHEMBL5028697 0.83 MAPT (0.44) METAP2DRD2NPC1RAB9A
SCHEMBL25342497 0.80 METAP2 (0.38) METAP2AAK1FPR3FPR2TRPV4
SCHEMBL25343680 0.78 METAP2 (0.36) METAP2AAK1FPR3FPR2TRPV4
SCHEMBL3875390 0.77 NPC1 (0.47) LCKCXCL8DRD2NPC1RAB9A
SCHEMBL1979475 0.76 MCHR1 (0.42) METAP2FPR3FPR2DRD2CA14
SCHEMBL19057816 0.73 METAP2 (0.44) METAP2AAK1FPR3FPR2PDK2
SCHEMBL25345126 0.73 METAP2 (0.38) METAP2AAK1FPR3FPR2TRPV4
SCHEMBL25343192 0.73 AAK1 (0.39) METAP2AAK1FPR3FPR2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983992-A2 2-IMINO-BENZIMIDAZOLES Abbott Laboratories (US) 2008-10-29 EP disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 WO disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 WO 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 METAP2 3560/4885LCK 3440/4885AAK1 3659/4885

“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.