SCHEMBL1455577

SCHEMBL1455577

COc1ccc(C(=O)Nc2ccc(Oc3ccc(N)cc3)c(Nc3ncnc4nc(C(C)C)ccc34)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDR P35968 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ AURKA O14965 2/20 0.41

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
SCHEMBL1455292 0.93 KDR (0.47) MAPK14EGFRKDRLMNAAURKB
SCHEMBL1454906 0.93 PGR (0.44) MAPK14EGFRRAB9ANPC1ALDH1A1
SCHEMBL1455237 0.93 MAPK14 (0.47) MAPK14EGFRAURKBAURKA
SCHEMBL1456265 0.92 AR (0.47) MAPK14EGFRRAB9ANPC1SMN1; SMN2
SCHEMBL1454055 0.90 KDR (0.45) RAB9ANPC1SMN1; SMN2KDR
SCHEMBL1454659 0.90 EGFR (0.40) MAPK14EGFRKDR
SCHEMBL1454619 0.89 KDR (0.47) KDRAURKBAURKA
SCHEMBL1455496 0.89 AR (0.43) RAB9ANPC1KDRLMNAAURKB
SCHEMBL1454890 0.88 KDR (0.42) MAPK14EGFRRAB9ANPC1ALDH1A1
SCHEMBL1455748 0.88 KDR (0.49) KDR

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 MAPK14 2567/4885EGFR 2701/4885RAB9A 571/4885

“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.

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