SCHEMBL2018773

SCHEMBL2018773

CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2nccc3ncccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.42
SRC P12931 3/20 0.42
GSK3B P49841 3/20 0.42
AURKB Q96GD4 3/20 0.42
AURKC Q9UQB9 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CLK1 P49759 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
BLM P54132 3/20 0.40
TP53 P04637 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL810229 0.86 KDM4E (0.42) AURKASRCGSK3BAURKBAURKC
SCHEMBL2969920 0.84 BLM (0.41) AURKASRCGSK3BAURKBAURKC
SCHEMBL2023477 0.75 AURKA (0.41) AURKAAURKBMEN1KMT2ABLM
SCHEMBL810785 0.75 PIM1 (0.45) AURKASRCGSK3BAURKBAURKC
SCHEMBL810155 0.74 PIM1 (0.44) MEN1KMT2ABLMTP53SMN1; SMN2
SCHEMBL2961153 0.74 SREBF2 (0.44) AURKAAURKBMEN1KMT2ABLM
SCHEMBL810616 0.74 PIM1 (0.44) MEN1KMT2ABLMTP53SMN1; SMN2
SCHEMBL809980 0.74 ALDH1A1 (0.39) AURKAAURKBMEN1KMT2ABLM
SCHEMBL2016780 0.74 AURKA (0.40) AURKASRCGSK3BAURKBAURKC
SCHEMBL810610 0.73 PIM1 (0.42) MEN1KMT2ASMN1; SMN2PKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US claimed
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 2172/4885SRC 1443/4885GSK3B 575/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 AURKA 2172/4885SRC 1443/4885GSK3B 575/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 AURKA 2172/4885SRC 1443/4885GSK3B 575/4885

“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.