SCHEMBL1456232

SCHEMBL1456232

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ AURKA O14965 4/20 0.42
▸ RPS6KB1 P23443 4/20 0.42
▸ AURKB Q96GD4 5/20 0.42
▸ BRAF P15056 2/20 0.41
▸ ERBB2 P04626 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39

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
SCHEMBL1455776 0.93 ABL1 (0.44) ABL1BCRKDRAURKARPS6KB1
SCHEMBL1454893 0.91 EGFR (0.46) ABL1KDRAURKBERBB2EGFR
SCHEMBL1455910 0.91 BRAF (0.50) ABL1BCRKDRBRAF
SCHEMBL1454805 0.89 NR1H4 (0.42) ABL1BCRAURKARPS6KB1BRAF
SCHEMBL1454785 0.89 BRAF (0.41) KDRBRAFERBB2
SCHEMBL1455430 0.88 AURKA (0.41) KDRAURKARPS6KB1BRAF
SCHEMBL1455171 0.88 KDR (0.48) KDREGFR
SCHEMBL1454055 0.88 KDR (0.45) KDRBRAF
SCHEMBL1455237 0.88 MAPK14 (0.47) AURKAAURKBEGFR
SCHEMBL1456051 0.87 NPC1 (0.43) AURKBBRAFERBB2EGFR

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 ABL1 92/4885BCR 3297/4885KDR 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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