SCHEMBL2968535

SCHEMBL2968535

CC(=O)Nc1ccc(Sc2ccc(-c3ccccc3)cc2Nc2ccnc3nc(C)ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.41
PORCN Q9H237 1/20 0.41
AURKA O14965 4/20 0.40
AURKB Q96GD4 3/20 0.40
HDAC1 Q13547 2/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
SYK P43405 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP2C19 P33261 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39

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
SCHEMBL2969129 0.90 ABCG2 (0.42) AURKAAURKBJAK2JAK3ABCG2
SCHEMBL2023477 0.88 AURKA (0.41) AURKAAURKBJAK2MAPTMEN1
SCHEMBL13273825 0.87 PIM1 (0.41) WNT3AABCG2MAPTPIM1AKT2
SCHEMBL2961826 0.86 IGF1R (0.41) AURKAAURKBMAPTMEN1ALDH1A1
SCHEMBL2970775 0.86 AURKA (0.40) AURKAAURKBHDAC1MAPTMEN1
SCHEMBL2957055 0.85 PIM1 (0.49) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL2960267 0.84 BRAF (0.42) AURKAAURKBMAPTALDH1A1HPGD
SCHEMBL2968859 0.83 AURKA (0.40) AURKAAURKBMAPTMEN1ALDH1A1
SCHEMBL2966344 0.82 PIM1 (0.54) AURKAAURKBMAPTMEN1ALDH1A1
SCHEMBL2965209 0.82 PIM1 (0.46) AURKAAURKBMEN1ALDH1A1KMT2A

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
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
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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 WNT3A 1908/4885PORCN 548/4885AURKA 2172/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 WNT3A 1908/4885PORCN 548/4885AURKA 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.