SCHEMBL810087

SCHEMBL810087

Cc1cc(Br)cc(Nc2ncnc3nc(C)ccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.53
MAPK1 P28482 1/20 0.45
EPHB2 P29323 1/20 0.41
FBP1 P09467 1/20 0.40
PIM1 P11309 1/20 0.39
AKT2 P31751 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL811077 0.84 EGFR (0.73) EGFRMAPK1EPHB2FBP1ABCG2
SCHEMBL811519 0.75 CLK4 (0.51) EGFRMAPK1ABCG2
SCHEMBL15918595 0.72 PDPK1 (0.44) EGFRPIM1AKT2
SCHEMBL810367 0.71 EGFR (0.57) EGFREPHB2FBP1PIM1AKT2
SCHEMBL810764 0.71 EGFR (0.50) EGFRMAPK1ABCG2
SCHEMBL810763 0.71 EGFR (0.50) EGFRMAPK1ABCG2
SCHEMBL6833192 0.69 EGFR (1.00) EGFREPHB2FBP1ABCG2
SCHEMBL2017502 0.69 SYK (0.52)
SCHEMBL811294 0.69 PIM1 (0.61) EGFRMAPK1FBP1PIM1AKT2
SCHEMBL6837272 0.68 EGFR (1.00) EGFREPHB2FBP1ABCG2

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 7 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-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
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP 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

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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EGFR 2701/4885MAPK1 2917/4885EPHB2 4447/4885

“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.