SCHEMBL4729863

SCHEMBL4729863

O=C1NCc2ccc(O)c(F)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.44
KDR P35968 5/20 0.39
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CDK1 P06493 1/20 0.37
DRD2 P14416 8/20 0.36
HTR2A P28223 8/20 0.36
SLC6A4 P31645 8/20 0.36
HTR1A P08908 6/20 0.36
NTRK2 Q16620 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
GRM5 P41594 1/20 0.34
NTRK1 P04629 2/20 0.33
FLT3 P36888 2/20 0.33
GSK3B P49841 2/20 0.33
JAK2 O60674 1/20 0.33
MET P08581 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL4366835 0.81 AURKA (0.46) AURKAKDRCA12CA9CDK1
SCHEMBL10200892 0.78 AURKA (0.44) AURKAKDRCA12CA9CDK1
SCHEMBL13424915 0.78 AURKA (0.44) AURKAKDRCA12CA9CDK1
SCHEMBL15814110 0.78 AURKA (0.44) AURKAKDRCA12CA9CDK1
SCHEMBL29875305 0.78 AURKA (0.40) AURKAKDRCA12CA9DRD2
SCHEMBL12240957 0.78 CLK4 (0.43) AURKAKDRCA12CA9DRD2
SCHEMBL8184445 0.78 AURKA (0.44) AURKAKDRCA12CA9DRD2
SCHEMBL12219913 0.74 AURKA (0.37) AURKAKDRCA12CA9DRD2
SCHEMBL4725954 0.74 DRD2 (0.43) AURKAKDRDRD2HTR2ASLC6A4
SCHEMBL3484978 0.73 AURKA (0.59) AURKAKDRCA12CA9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015095052-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 WO disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
WO-2010054279-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 AURKA 3106/4885KDR 2727/4885CA12 230/4885

“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.