SCHEMBL2016780

SCHEMBL2016780

CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ccnc3nc(Cl)ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.40
AURKB Q96GD4 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
JAK2 O60674 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
BLM P54132 2/20 0.37
TP53 P04637 2/20 0.37
SRC P12931 2/20 0.36
GSK3B P49841 2/20 0.36
AURKC Q9UQB9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PDE10A Q9Y233 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL2023477 0.91 AURKA (0.41) AURKAAURKBSMN1; SMN2PKMHPGD
SCHEMBL2961423 0.88 AURKA (0.40) AURKAAURKBSMN1; SMN2PKMHPGD
SCHEMBL2961153 0.87 SREBF2 (0.44) AURKAAURKBSMN1; SMN2PKMHPGD
SCHEMBL2957108 0.87 AURKA (0.43) AURKAAURKBSMN1; SMN2PKMHPGD
SCHEMBL2969920 0.87 BLM (0.41) AURKAAURKBSMN1; SMN2PKMHPGD
SCHEMBL2018147 0.86 AURKA (0.39) AURKAAURKBSMN1; SMN2PKMHPGD
SCHEMBL2964378 0.86 SYK (0.41) AURKAAURKBSMN1; SMN2PKMHPGD
SCHEMBL2021349 0.86 PIM1 (0.40) SMN1; SMN2PKMHPGDMAPTMEN1
SCHEMBL2968098 0.86 SREBF2 (0.39) AURKAAURKBSMN1; SMN2PKMHPGD
SCHEMBL2961826 0.85 IGF1R (0.41) AURKAAURKBALDH1A1MAPTMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-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 (3 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 AURKA 2172/4885AURKB 2041/4885SMN1; SMN2 3135/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 AURKA 2172/4885AURKB 2041/4885SMN1; SMN2 3135/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 AURKA 2172/4885AURKB 2041/4885SMN1; SMN2 3135/4885

“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.