SCHEMBL4152220

SCHEMBL4152220

c1cc(-c2cncc(NCC3CCCN3)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.47
AKT1 P31749 1/20 0.45
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRND Q07001 1/20 0.41
IDO1 P14902 5/20 0.40
TDO2 P48775 5/20 0.40
MAPT P10636 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL4148071 0.88 CHRNB4 (0.43) PRKCICHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14409567 0.83 PRKCI (0.51) PRKCIAKT1CHRNB4CHRNA3IDO1
SCHEMBL14416942 0.83 PRKCI (0.51) PRKCIAKT1CHRNB4CHRNA3IDO1
SCHEMBL14416943 0.83 PRKCI (0.51) PRKCIAKT1CHRNB4CHRNA3IDO1
SCHEMBL4924400 0.80 ROCK2 (0.48)
SCHEMBL4930989 0.79 MKNK1 (0.44) MAPTGSK3B
SCHEMBL4925453 0.79 ROCK2 (0.45) MAPTGSK3B
SCHEMBL4148646 0.79 KDM4C (0.45) MAPTGSK3B
SCHEMBL4159891 0.78 SYK (0.46) CHRNB2CHRNA4GSK3B
SCHEMBL14603115 0.77 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 US disclosed
WO-2006072792-A2 COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES GALAPAGOS NV (BE) 2006-07-13 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT PRKCI 106/4885AKT1 83/4885CHRNB2 1239/4885

“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.