SCHEMBL4148071

SCHEMBL4148071

Oc1ccc(-c2cncc(NCC3CCCN3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.43
CHRNA3 P32297 4/20 0.43
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRND Q07001 1/20 0.40
IDO1 P14902 5/20 0.39
TDO2 P48775 5/20 0.39
CHEK1 O14757 2/20 0.39
IL1B P01584 1/20 0.37
PRKCI P41743 2/20 0.37
PRKCZ Q05513 1/20 0.37
SYK P43405 2/20 0.37
KCNH2 Q12809 2/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL4152220 0.88 PRKCI (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL4148716 0.80 MEN1 (0.46) KCNH2MAPK1
SCHEMBL4159891 0.78 SYK (0.46) CHRNB2CHRNA4CHEK1PRKCZSYK
SCHEMBL14409567 0.72 PRKCI (0.51) CHRNB4CHRNA3IDO1TDO2PRKCI
SCHEMBL14416943 0.72 PRKCI (0.51) CHRNB4CHRNA3IDO1TDO2PRKCI
SCHEMBL14416942 0.72 PRKCI (0.51) CHRNB4CHRNA3IDO1TDO2PRKCI
SCHEMBL14603115 0.72 CHRNB2 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL4654443 0.72 LTA4H (0.51) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL1751545 0.72 LTA4H (0.51) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL1298841 0.70 CYP19A1 (0.39) CHRNB4CHRNA3IDO1TDO2KCNH2

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 1 patent. 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

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 CHRNB4 1231/4885CHRNA3 1480/4885CHRNB2 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.