SCHEMBL2961826

SCHEMBL2961826

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.41
PAX8 Q06710 1/20 0.41
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
PIM1 P11309 1/20 0.37
AKT2 P31751 1/20 0.37
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
ALDH1A1 P00352 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL2963836 0.93 AURKA (0.42) IGF1RPAX8AURKAAURKBKMT2A
SCHEMBL2023477 0.91 AURKA (0.41) AURKAAURKBKMT2AMEN1MAPT
SCHEMBL2970775 0.89 AURKA (0.40) AURKAAURKBKMT2AMEN1MAPT
SCHEMBL2968859 0.87 AURKA (0.40) AURKAAURKBKMT2AMEN1MAPT
SCHEMBL2969129 0.87 ABCG2 (0.42) AURKAAURKBKMT2AMEN1MAPT
SCHEMBL2968535 0.86 WNT3A (0.41) AURKAAURKBKMT2AMEN1MAPT
SCHEMBL2960267 0.86 BRAF (0.42) AURKAAURKBMAPTALDH1A1ADORA2A
SCHEMBL2016780 0.85 AURKA (0.40) PAX8AURKAAURKBKMT2AMEN1
SCHEMBL2965209 0.84 PIM1 (0.46) IGF1RAURKAAURKBKMT2AMEN1
SCHEMBL2968295 0.84 PIM1 (0.43) IGF1RAURKAAURKBKMT2AMEN1

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 IGF1R 4518/4885PAX8 3837/4885AURKA 2172/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 IGF1R 4518/4885PAX8 3837/4885AURKA 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.