SCHEMBL810512

SCHEMBL810512

O=C(Nc1cccc(Nc2ncnc3ncccc23)c1)c1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.61
F2R P25116 12/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ABCG2 Q9UNQ0 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 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
SCHEMBL810297 0.87 EGFR (0.55) EGFRF2RABCG2KMT2AMEN1
SCHEMBL810663 0.85 KCNK3 (0.60) EGFRKMT2AMEN1MAPTAURKA
SCHEMBL811530 0.84 EGFR (0.65) EGFRNPC1RAB9AABCG2KMT2A
SCHEMBL1455942 0.83 EGFR (0.71) EGFRNPC1RAB9AABCG2ALDH1A1
SCHEMBL1454765 0.80 EGFR (0.56) EGFRNPC1RAB9AABCG2KMT2A
SCHEMBL810220 0.79 AURKB (0.56) EGFRNPC1RAB9AABCG2KMT2A
SCHEMBL1455795 0.79 KDR (0.62) EGFRABCG2KMT2AMEN1ALDH1A1
SCHEMBL1455842 0.77 AURKB (0.58) EGFRNPC1RAB9AABCG2KMT2A
SCHEMBL250318 0.76 EGFR (1.00) EGFRABCG2AURKA
SCHEMBL810676 0.76 ABCG2 (0.59) EGFRNPC1RAB9AABCG2KMT2A

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 2701/4885F2R 3269/4885NPC1 37/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EGFR 2701/4885F2R 3269/4885NPC1 37/4885

“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.