SCHEMBL1454672

SCHEMBL1454672

O=C(Nc1cccc(F)c1)c1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3ncccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.48
AURKA O14965 1/20 0.43
PIM1 P11309 1/20 0.40
AKT2 P31751 1/20 0.40
AURKB Q96GD4 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
EGFR P00533 1/20 0.39
POLB P06746 1/20 0.39
KDR P35968 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL1455179 0.92 KCNQ3 (0.45) BRAFAURKAPIM1AKT2AURKB
SCHEMBL1454720 0.91 PIM1 (0.44) BRAFAURKAPIM1AKT2AURKB
SCHEMBL1454562 0.90 POLB (0.51) BRAFAURKAPIM1AKT2AURKB
SCHEMBL1454471 0.88 PIM1 (0.42) BRAFPIM1AKT2POLBKCNQ3
SCHEMBL1455054 0.88 PIM1 (0.54) BRAFAURKAPIM1AKT2AURKB
SCHEMBL1454780 0.87 PIM1 (0.45) BRAFAURKAPIM1AKT2AURKB
SCHEMBL1455210 0.87 PIM1 (0.43) BRAFAURKAPIM1AKT2CYP1A2
SCHEMBL1455379 0.86 PIM1 (0.44) BRAFAURKAPIM1AKT2AURKB
SCHEMBL1454908 0.85 EGFR (0.48) BRAFAURKAPIM1AKT2AURKB
SCHEMBL1455417 0.85 BRAF (0.46) BRAFAURKAPIM1AKT2AURKB

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 BRAF 4226/4885AURKA 2172/4885PIM1 2963/4885

“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.