SCHEMBL1454291

SCHEMBL1454291

Cc1cccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)OC(C)(C)C)cc3)c(Nc3ncnc4nc(C(C)C)ccc34)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.45
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK14 Q16539 5/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ EGFR P00533 3/20 0.38
▸ SRC P12931 1/20 0.38
▸ BRAF P15056 2/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 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
SCHEMBL1455908 0.93 MAPK14 (0.44) MEN1RAB9AKMT2AMAPK14CDK1
SCHEMBL1455857 0.92 AR (0.44) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL1454493 0.92 KDR (0.41) KDRNPC1RAB9ACDK1EGFR
SCHEMBL1454890 0.89 KDR (0.42) KDRNPC1RAB9AMAPK14EGFR
SCHEMBL1455171 0.89 KDR (0.48) KDRMEN1NPC1RAB9AKMT2A
SCHEMBL1455304 0.88 KDR (0.42) KDRCDK1EGFRBRAF
SCHEMBL1454057 0.88 POLB (0.47) KDRMAPK14EGFRBRAF
SCHEMBL1455506 0.88 BRAF (0.40) BRAF
SCHEMBL1454680 0.87 KDR (0.45) KDRBRAF
SCHEMBL1454749 0.87 KDR (0.40) KDREGFRBRAF

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 4571/4885NPC1 37/4885

“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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