SCHEMBL810763

SCHEMBL810763

Cc1ccc2c(Nc3cccc(/C=C/c4ccccc4)c3)ncnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.50
HTT P42858 2/20 0.44
HIF1A Q16665 2/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
PDE5A O76074 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
GRM5 P41594 1/20 0.40
RAB9A P51151 1/20 0.40
GRM4 Q14833 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL810764 1.00 EGFR (0.50) EGFRHTTHIF1AMAPK1KDM4E
SCHEMBL28776385 0.83 PIM1 (0.41) EGFRHTTHIF1AKDM4EHDAC6
SCHEMBL811077 0.81 EGFR (0.73) EGFRMAPK1ABCG2
SCHEMBL811635 0.78 PIM1 (0.55) EGFRABCG2HDAC6ALDH1A1NPC1
SCHEMBL811634 0.78 PIM1 (0.55) EGFRABCG2HDAC6ALDH1A1NPC1
SCHEMBL811733 0.74 PIM1 (0.64) SMN1; SMN2
SCHEMBL811734 0.74 PIM1 (0.64) SMN1; SMN2
SCHEMBL810867 0.72 EGFR (0.48) EGFRHTTABCG2NPC1RAB9A
SCHEMBL810087 0.71 EGFR (0.53) EGFRMAPK1ABCG2
SCHEMBL810367 0.71 EGFR (0.57) EGFR

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 6 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
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 2701/4885HTT 472/4885HIF1A 1806/4885

“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.