SCHEMBL546260

SCHEMBL546260

CN1CCN(CCOc2ccc(I)c3c(N)noc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.43
NOS1 P29475 3/20 0.43
NOS2 P35228 3/20 0.43
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
HTR1B P28222 1/20 0.39
PRKDC P78527 3/20 0.39
CXCR1 P25024 1/20 0.38
P2RY12 Q9H244 2/20 0.37
PIK3CD O00329 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LTA4H P09960 1/20 0.36
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL419834 0.88 KIT (0.49) KITKDRFLT3P2RY12KDM4E
SCHEMBL546507 0.82 HTR1B (0.46) NOS3NOS1NOS2KITKDR
SCHEMBL422815 0.71 KIT (0.60) KITKDRFLT3KDM4E
SCHEMBL545388 0.71 KIT (0.52) KITKDRFLT3KDM4EALDH1A1
SCHEMBL7246725 0.68 NOS3 (0.50) NOS3NOS1NOS2HTR1BLTA4H
SCHEMBL10036150 0.65 SMN1; SMN2 (0.57) NOS3NOS1NOS2HTR1BKDM4E
SCHEMBL421007 0.65 IDO1 (0.40) NOS3NOS1NOS2KITKDR
SCHEMBL23339695 0.64 HTR1B (0.48) HTR1BKDM4EALDH1A1LTA4H
SCHEMBL4266650 0.64 POLB (0.54) NOS3NOS1NOS2HTR1BKDM4E
SCHEMBL6313608 0.64 KDM4E (0.53) NOS3NOS1NOS2HTR1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170834-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBVIE INC (US) 2014-01-08 EP disclosed
US-8110572-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-07 US disclosed
EP-2170834-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-04-07 EP disclosed
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2009012312-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-01-22 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-20090054430-A1 Inhibitors of Protein Kinases AURKC, AURKB, PLK1 NOS3 4323/4885NOS1 4348/4885NOS2 4457/4885

“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.