SCHEMBL4499174

SCHEMBL4499174

[NH]c1c(I)ccc2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
AOC3 Q16853 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NQO2 P16083 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP19A1 P11511 2/20 0.33
BAD Q92934 1/20 0.32
CYP1A2 P05177 3/20 0.32
MAPT P10636 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP1B1 Q16678 2/20 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
SCHEMBL405845 0.75 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL4491270 0.75 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL12531168 0.71 ABCG2 (0.36) ABCG2
SCHEMBL8499147 0.70 ABCG2 (0.50) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL423210 0.69 ALDH1A1 (0.44) TXNRD1TXNRD3TXNRD2AOC3ALDH1A1
SCHEMBL1768496 0.68 PKM (0.39) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL10163153 0.68 ALDH1A1 (0.40) TXNRD1TXNRD3TXNRD2AOC3ALDH1A1
SCHEMBL1768456 0.67 AOC3 (0.50) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL4023955 0.65 ABCG2 (0.50) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL18727160 0.63 CYP2D6 (0.42) TXNRD1TXNRD3TXNRD2ABCG2AOC3

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
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 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-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 TXNRD1 1155/4885TXNRD3 2622/4885TXNRD2 1966/4885

“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.