SCHEMBL1454765

SCHEMBL1454765

O=C(Nc1cccc(Nc2ncnc3ncccc23)c1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.56
KDR P35968 2/20 0.52
MAPK14 Q16539 1/20 0.50
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PABPC1 P11940 1/20 0.49
EIF4H Q15056 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
KCNK3 O14649 2/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
KCNK9 Q9NPC2 1/20 0.47
ERBB2 P04626 1/20 0.47
BRAF P15056 1/20 0.47
NAMPT P43490 1/20 0.46

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
SCHEMBL1455795 0.90 KDR (0.62) EGFRKDRMAPK14AURKAAURKB
SCHEMBL811530 0.89 EGFR (0.65) EGFRKDRMAPK14AURKAAURKB
SCHEMBL1455842 0.86 AURKB (0.58) EGFRMAPK14AURKAAURKBKMT2A
SCHEMBL1455942 0.84 EGFR (0.71) EGFRKDRMAPK14AURKAAURKB
SCHEMBL810297 0.84 EGFR (0.55) EGFRKDRMEN1KMT2APABPC1
SCHEMBL810220 0.84 AURKB (0.56) EGFRKDRMAPK14AURKAAURKB
SCHEMBL810676 0.81 ABCG2 (0.59) EGFRKDRMAPK14AURKBMEN1
SCHEMBL809840 0.80 EGFR (0.71) EGFRMAPK14MEN1KMT2AABCG2
SCHEMBL810512 0.80 EGFR (0.61) EGFRAURKAMEN1KMT2AABCG2
SCHEMBL1455215 0.79 PIM1 (0.41) EGFRMAPK14AURKAAURKBMEN1

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
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EGFR 2701/4885KDR 3293/4885MAPK14 2567/4885

“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.