SCHEMBL2963836

SCHEMBL2963836

CC(=O)Nc1ccc(Sc2cc(Cl)ccc2Nc2ccnc3nc(C)ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.42
AURKB Q96GD4 2/20 0.42
PAX8 Q06710 1/20 0.41
IGF1R P08069 1/20 0.39
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ATM Q13315 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
SCHEMBL2961826 0.93 IGF1R (0.41) AURKAAURKBPAX8IGF1RGAA
SCHEMBL2968859 0.85 AURKA (0.40) AURKAAURKBNPC1POLBMAPT
SCHEMBL2023477 0.85 AURKA (0.41) AURKAAURKBNPC1POLBRAB9A
SCHEMBL2970775 0.83 AURKA (0.40) AURKAAURKBNPC1POLBHDAC1
SCHEMBL2969129 0.81 ABCG2 (0.42) AURKAAURKBNPC1POLBRAB9A
SCHEMBL2968535 0.81 WNT3A (0.41) AURKAAURKBGAAHDAC1MAPT
SCHEMBL2960267 0.81 BRAF (0.42) AURKAAURKBMAPTADORA2AADORA1
SCHEMBL2016780 0.80 AURKA (0.40) AURKAAURKBPAX8NPC1POLB
SCHEMBL2968878 0.80 IGF1R (0.47) PAX8IGF1RGAAPOLBMAPT
SCHEMBL2965209 0.79 PIM1 (0.46) AURKAAURKBIGF1RNPC1POLB

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 7 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-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-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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 AURKA 2172/4885AURKB 2041/4885PAX8 3837/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 AURKA 2172/4885AURKB 2041/4885PAX8 3837/4885

“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.