SCHEMBL1454908

SCHEMBL1454908

O=C(Nc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3ncccc23)c1)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
PIM1 P11309 1/20 0.43
AKT2 P31751 1/20 0.43
AURKB Q96GD4 2/20 0.40
AURKA O14965 1/20 0.40
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 3/20 0.38
BRAF P15056 2/20 0.38
CSF1R P07333 1/20 0.38
MEN1 O00255 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
SCHEMBL1454907 0.92 PIM1 (0.45) EGFRNPC1RAB9APIM1AKT2
SCHEMBL1454780 0.90 PIM1 (0.45) EGFRPIM1AKT2AURKBAURKA
SCHEMBL1455417 0.87 BRAF (0.46) EGFRNPC1RAB9APIM1AKT2
SCHEMBL1456044 0.87 PIM1 (0.48) EGFRNPC1RAB9ACASP3SENP8
SCHEMBL1455215 0.87 PIM1 (0.41) EGFRNPC1RAB9APIM1AKT2
SCHEMBL1455683 0.86 EGFR (0.54) EGFRAURKBAURKAPDGFRBKIT
SCHEMBL1455530 0.86 EGFR (0.52) EGFRNPC1RAB9ACASP3SENP8
SCHEMBL1454720 0.85 PIM1 (0.44) EGFRPIM1AKT2AURKBAURKA
SCHEMBL1454672 0.85 BRAF (0.48) EGFRNPC1RAB9APIM1AKT2
SCHEMBL1455179 0.85 KCNQ3 (0.45) PIM1AKT2AURKBAURKAKDR

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 EGFR 2701/4885NPC1 37/4885RAB9A 571/4885

“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.