SCHEMBL545388

SCHEMBL545388

Nc1noc2c(OCCN3CCOCC3)ccc(C(=O)O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
POLB P06746 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 3/20 0.46
KMO O15229 4/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL546507 0.89 HTR1B (0.46) KITKDRFLT3POLBALDH1A1
SCHEMBL545284 0.84 KIT (0.59) KITKDRFLT3
SCHEMBL419834 0.82 KIT (0.49) KITKDRFLT3POLBALDH1A1
SCHEMBL16457003 0.79 KDR (0.53) KITKDRFLT3
SCHEMBL422815 0.79 KIT (0.60) KITKDRFLT3POLBKDM4E
SCHEMBL545526 0.77 AURKA (0.59) KITKDRFLT3
SCHEMBL1384424 0.73 KDR (0.73) KITKDRFLT3
SCHEMBL6042440 0.73 POLB (0.68) POLBCNR1CNR2ALDH1A1KDM4E
SCHEMBL3566534 0.73 MEN1 (0.50) POLBCNR1CNR2ALDH1A1MAPT
SCHEMBL545868 0.72 FLT1 (0.47) KITKDRFLT3POLBALDH1A1

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
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
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 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-20090054430-A1 Inhibitors of Protein Kinases AURKC, AURKB, PLK1 KIT 1253/4885KDR 2634/4885FLT3 715/4885

“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.