SCHEMBL2021585

SCHEMBL2021585

CCOC(=O)C(C(=O)OCC)c1ccc2c(Nc3cc(C)ccc3Sc3ccc(NC(C)=O)cc3)ccnc2n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
JAK2 O60674 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 2/20 0.33
SREBF2 Q12772 1/20 0.33

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
SCHEMBL2971410 0.95 LMNA (0.34) SMN1; SMN2LMNAAURKAAURKBHPGD
SCHEMBL2968519 0.93 SMN1; SMN2 (0.37) SMN1; SMN2LMNAAURKAAURKBHPGD
SCHEMBL2960434 0.90 SMN1; SMN2 (0.36) SMN1; SMN2LMNAAURKAAURKBHPGD
SCHEMBL2968828 0.89 AURKA (0.38) SMN1; SMN2LMNAAURKAAURKBHPGD
SCHEMBL2021586 0.88 SMN1; SMN2 (0.34) SMN1; SMN2LMNAAURKAAURKBHPGD
SCHEMBL2961423 0.86 AURKA (0.40) SMN1; SMN2LMNAAURKAAURKBHPGD
SCHEMBL2961153 0.85 SREBF2 (0.44) SMN1; SMN2LMNAAURKAAURKBHPGD
SCHEMBL2971935 0.85 AURKA (0.38) SMN1; SMN2LMNAAURKAAURKBHPGD
SCHEMBL2023477 0.84 AURKA (0.41) SMN1; SMN2AURKAAURKBHPGDPKM
SCHEMBL2971544 0.84 AURKA (0.38) SMN1; SMN2LMNAAURKAAURKBHPGD

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 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
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN 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 SMN1; SMN2 3135/4885LMNA 3252/4885AURKA 2172/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 3135/4885LMNA 3252/4885AURKA 2172/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 3135/4885LMNA 3252/4885AURKA 2172/4885

“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.