SCHEMBL811530

SCHEMBL811530

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.65
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
TP53 P04637 2/20 0.53
MAPK14 Q16539 1/20 0.53
RAB9A P51151 2/20 0.51
KDR P35968 2/20 0.51
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AURKB Q96GD4 1/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1455942 0.90 EGFR (0.71) EGFRMAPK14RAB9AKDRAURKA
SCHEMBL1454765 0.89 EGFR (0.56) EGFRKMT2AMEN1MAPK14RAB9A
SCHEMBL1455842 0.86 AURKB (0.58) EGFRKMT2ATP53MAPK14RAB9A
SCHEMBL810512 0.84 EGFR (0.61) EGFRKMT2AMEN1RAB9AAURKA
SCHEMBL810220 0.84 AURKB (0.56) EGFRKMT2AMEN1MAPK14RAB9A
SCHEMBL1455795 0.84 KDR (0.62) EGFRKMT2AMEN1MAPK14KDR
SCHEMBL810676 0.81 ABCG2 (0.59) EGFRKMT2AMEN1TP53MAPK14
SCHEMBL250318 0.80 EGFR (1.00) EGFRAURKAAURKBABCG2
SCHEMBL810297 0.80 EGFR (0.55) EGFRKMT2AMEN1KDRABCG2
SCHEMBL1454907 0.79 PIM1 (0.45) EGFRKMT2AMEN1TP53MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US 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
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO 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 (2 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EGFR 2701/4885KMT2A 3566/4885MEN1 4571/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EGFR 2701/4885KMT2A 3566/4885MEN1 4571/4885

“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.