SCHEMBL1455726

SCHEMBL1455726

CC(C)c1ccc2c(Nc3cc(C(=O)Nc4cccc(Br)c4)ccc3Oc3cccc(NC(=O)OC(C)(C)C)c3)ncnc2n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.43
▸ KDR P35968 2/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ MAP2K2 P36507 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ TEK Q02763 1/20 0.38
▸ BRAF P15056 1/20 0.37
▸ CDK1 P06493 1/20 0.36
▸ PLAU P00749 1/20 0.36

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
SCHEMBL1455677 0.93 EGFR (0.53) EGFRKDRAURKBRAF1MAP2K2
SCHEMBL1454712 0.91 EGFR (0.44) EGFRKDRAURKBRAF1MAP2K2
SCHEMBL1455304 0.89 KDR (0.42) EGFRKDRAURKBRAF1MAP2K2
SCHEMBL1455450 0.89 EGFR (0.45) EGFRKDRAURKB
SCHEMBL1455553 0.88 EGFR (0.42) EGFRKDRTEKPLAU
SCHEMBL1455568 0.87 EGFR (0.43) EGFRKDRAURKB
SCHEMBL1454893 0.86 EGFR (0.46) EGFRKDRAURKB
SCHEMBL1454284 0.86 EGFR (0.42) EGFRKDRAURKBRAF1MAP2K2
SCHEMBL1454057 0.86 POLB (0.47) EGFRKDRAURKBBRAF
SCHEMBL1455880 0.86 EGFR (0.43) EGFRKDRAURKBRAF1MAP2K2

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 EGFR 2701/4885KDR 3293/4885AURKB 2041/4885

“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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