SCHEMBL1454907

SCHEMBL1454907

O=C(Nc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3ncccc23)c1)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
AKT2 P31751 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EGFR P00533 3/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
RPS6KB1 P23443 1/20 0.38
BRAF P15056 3/20 0.37
ALK Q9UM73 1/20 0.37
BTK Q06187 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
SCHEMBL1454780 0.95 PIM1 (0.45) PIM1AKT2MEN1KMT2AEGFR
SCHEMBL1454908 0.92 EGFR (0.48) PIM1AKT2MEN1KMT2AEGFR
SCHEMBL1455215 0.92 PIM1 (0.41) PIM1AKT2MEN1KMT2AEGFR
SCHEMBL1455767 0.89 PIM1 (0.46) PIM1AKT2EGFRMAPK14NPC1
SCHEMBL1455417 0.88 BRAF (0.46) PIM1AKT2MEN1KMT2AEGFR
SCHEMBL1454720 0.87 PIM1 (0.44) PIM1AKT2EGFRKDRMAPK14
SCHEMBL1455179 0.86 KCNQ3 (0.45) PIM1AKT2KDRTP53AURKA
SCHEMBL1454688 0.85 PIM1 (0.48) PIM1AKT2EGFRKDRMAPK14
SCHEMBL1454915 0.85 PIM1 (0.45) PIM1AKT2EGFRMAPK14TP53
SCHEMBL1454672 0.85 BRAF (0.48) PIM1AKT2MEN1KMT2AEGFR

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 PIM1 2963/4885AKT2 3903/4885MEN1 4571/4885

“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.