SCHEMBL1454896

SCHEMBL1454896

Cc1ccc2c(Nc3cc(NC(=O)c4ccc(Br)cc4)ccc3Oc3ccc(N)cc3)ncnc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.49
▸ MAPK14 Q16539 3/20 0.44
▸ EGFR P00533 4/20 0.41
▸ ERBB2 P04626 4/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ AURKA O14965 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40

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
SCHEMBL1454795 0.91 EGFR (0.44) KDRMAPK14EGFRERBB2HDAC3
SCHEMBL1455292 0.90 KDR (0.47) KDRMAPK14EGFRERBB2HDAC3
SCHEMBL1454372 0.88 KDR (0.47) KDRMAPK14ERBB2ABL1AURKA
SCHEMBL1454619 0.86 KDR (0.47) KDRABL1AURKAAURKBMAPT
SCHEMBL1455761 0.85 PIM1 (0.50) KDRMAPK14EGFRHDAC3HDAC4
SCHEMBL1455523 0.84 KDR (0.52) KDRABL1
SCHEMBL1455577 0.83 MAPK14 (0.43) KDRMAPK14EGFRAURKAAURKB
SCHEMBL1454658 0.83 KDR (0.46) KDRMAPK14EGFRAURKAAURKB
SCHEMBL1454821 0.83 EGFR (0.47) KDREGFRERBB2HDAC3ABL1
SCHEMBL1454903 0.82 PIM1 (0.46) KDREGFRERBB2HDAC3ABL1

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 3293/4885MAPK14 2567/4885EGFR 2701/4885

“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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