SCHEMBL10200890

SCHEMBL10200890

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

nearest known ligand 0.34

Predicted protein targets (top 6)

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
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL10201440 0.80 AURKA (0.34) AURKANAT1KDRCDK1CA12
SCHEMBL3835742 0.77 AURKA (0.37) AURKAKDRCDK1CA12CA9
SCHEMBL3840001 0.75 PARP10 (0.36) AURKAKDRCA12CA9
SCHEMBL21050803 0.74 AURKA (0.40) AURKAKDRCDK1CA12CA9
SCHEMBL3835512 0.72 KDR (0.41) AURKAKDRCA12CA9
SCHEMBL3837295 0.70 AURKA (0.37) AURKAKDRCA12CA9
SCHEMBL3836901 0.70 GRM5 (0.37) AURKAKDRCA12CA9
SCHEMBL31158957 0.70 GRM5 (0.37) AURKAKDRCA12CA9
SCHEMBL5311516 0.70 AURKA (0.37) AURKAKDRCDK1CA12CA9
SCHEMBL10200892 0.70 AURKA (0.44) AURKAKDRCDK1CA12CA9

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.