SCHEMBL1455795

SCHEMBL1455795

O=C(Nc1cccc(Nc2ncnc3ncccc23)c1)c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.62
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
EGFR P00533 2/20 0.55
KCNK3 O14649 2/20 0.54
KCNK9 Q9NPC2 2/20 0.54
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
BRAF P15056 3/20 0.53
CES1 P23141 1/20 0.52
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
MAPK14 Q16539 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL1454765 0.90 EGFR (0.56) KDRMEN1KMT2AEGFRKCNK3
SCHEMBL810220 0.87 AURKB (0.56) KDRMEN1KMT2AEGFRKCNK3
SCHEMBL1455942 0.87 EGFR (0.71) KDREGFRALDH1A1BRAFAURKA
SCHEMBL810676 0.85 ABCG2 (0.59) KDRMEN1KMT2AEGFRKCNK3
SCHEMBL811530 0.84 EGFR (0.65) KDRMEN1KMT2AEGFRALDH1A1
SCHEMBL809840 0.84 EGFR (0.71) MEN1KMT2AEGFRALDH1A1MAPK14
SCHEMBL810297 0.83 EGFR (0.55) KDRMEN1KMT2AEGFRKCNK3
SCHEMBL1455842 0.81 AURKB (0.58) KMT2AEGFRKCNK3KCNK9ALDH1A1
SCHEMBL810512 0.79 EGFR (0.61) MEN1KMT2AEGFRALDH1A1AURKA
SCHEMBL810663 0.76 KCNK3 (0.60) KDRMEN1KMT2AEGFRKCNK3

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 KDR 3293/4885MEN1 4571/4885KMT2A 3566/4885

“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.