SCHEMBL10201440

SCHEMBL10201440

O=C1NCc2cc(I)c(O)c(F)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.34
NAT1 P18440 2/20 0.33
KDR P35968 2/20 0.32
CDK1 P06493 1/20 0.32
GRM5 P41594 2/20 0.32
MKNK2 Q9HBH9 1/20 0.32
DAPK3 O43293 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
ROCK1 Q13464 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30

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
SCHEMBL14978271 0.80 AURKA (0.34) AURKAKDRCDK1GRM5MKNK2
SCHEMBL10200890 0.80 AURKA (0.34) AURKANAT1KDRCDK1CA12
SCHEMBL3836901 0.74 GRM5 (0.37) AURKAKDRGRM5MKNK2DAPK3
SCHEMBL3835742 0.74 AURKA (0.37) AURKAKDRCDK1NTRK1PIM1
SCHEMBL31158957 0.74 GRM5 (0.37) AURKAKDRGRM5MKNK2DAPK3
SCHEMBL24667786 0.70 MKNK2 (0.41) AURKAKDRCDK1GRM5MKNK2
SCHEMBL4729863 0.70 AURKA (0.44) AURKAKDRCDK1GRM5DAPK3
SCHEMBL29987052 0.70 MKNK2 (0.41) AURKAKDRCDK1GRM5MKNK2
SCHEMBL22024020 0.69 MKNK2 (0.32) AURKAMKNK2
SCHEMBL3835512 0.68 KDR (0.41) AURKAKDRDAPK3NTRK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3106/4885NAT1 282/4885KDR 2727/4885

“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.