SCHEMBL1454057

SCHEMBL1454057

CC(C)c1ccc2c(Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3Oc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ BRAF P15056 9/20 0.46
▸ AURKB Q96GD4 1/20 0.45
▸ KDR P35968 4/20 0.44
▸ MAPK14 Q16539 2/20 0.43
▸ TNNI3K Q59H18 2/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL1454680 0.94 KDR (0.45) BRAFKDR
SCHEMBL1454749 0.91 KDR (0.40) EGFRBRAFAURKBKDR
SCHEMBL1455910 0.90 BRAF (0.50) POLBBRAFKDRABL1BCR
SCHEMBL1454493 0.89 KDR (0.41) EGFRBRAFKDR
SCHEMBL1454675 0.89 KDR (0.39) BRAFKDR
SCHEMBL1455661 0.89 RPS6KB1 (0.41) EGFRBRAFAURKBKDR
SCHEMBL1454291 0.88 KDR (0.45) EGFRBRAFKDRMAPK14
SCHEMBL1455304 0.88 KDR (0.42) EGFRBRAFAURKBKDRABL1
SCHEMBL1455908 0.88 MAPK14 (0.44) EGFRAURKBMAPK14
SCHEMBL1455506 0.88 BRAF (0.40) BRAF

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 POLB 442/4885EGFR 2701/4885BRAF 4226/4885

“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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