SCHEMBL1454659

SCHEMBL1454659

CC(C)c1ccc2c(Nc3cc(NC(=O)c4cc(Cl)cc(Cl)c4)ccc3Oc3ccc(N)cc3)ncnc2n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.40
▸ MAPK14 Q16539 4/20 0.40
▸ KDR P35968 3/20 0.40
▸ ERBB2 P04626 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PNLIP P16233 2/20 0.37

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
SCHEMBL1455237 0.90 MAPK14 (0.47) EGFRMAPK14PNLIP
SCHEMBL1455577 0.90 MAPK14 (0.43) EGFRMAPK14KDR
SCHEMBL1455292 0.89 KDR (0.47) EGFRMAPK14KDRERBB2
SCHEMBL1455916 0.88 KDR (0.42) EGFRKDRERBB2
SCHEMBL1455171 0.88 KDR (0.48) EGFRMAPK14KDRLCKLYN
SCHEMBL1454055 0.87 KDR (0.45) KDR
SCHEMBL1455053 0.87 AXL (0.43) —
SCHEMBL1454785 0.87 BRAF (0.41) MAPK14KDRERBB2
SCHEMBL1456051 0.87 NPC1 (0.43) EGFRMAPK14ERBB2
SCHEMBL1456265 0.87 AR (0.47) EGFRMAPK14

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
CN-102702193-A Anti-viral compounds ABBOTT LAB 2012-10-03 — — CN disclosed
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 2701/4885MAPK14 2567/4885KDR 3293/4885

“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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