SCHEMBL2962053

SCHEMBL2962053

CCCc1ccc2c(Nc3cc(OCc4ccc(Br)cc4)ccc3Sc3ccc(NC(C)=O)cc3)ccnc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
AKT2 P31751 1/20 0.41
SREBF2 Q12772 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL2970188 0.92 PIM1 (0.41) PIM1AKT2SREBF2KDM4EMAPT
SCHEMBL2962047 0.91 KDM4E (0.40) PIM1AKT2SREBF2KDM4EMAPT
SCHEMBL2969904 0.91 PIM1 (0.48) PIM1AKT2KDM4EMAPTGAA
SCHEMBL2965288 0.91 PIM1 (0.49) PIM1AKT2SREBF2KDM4EMAPT
SCHEMBL2961622 0.91 MAOB (0.38) PIM1AKT2SREBF2KDM4EMAPT
SCHEMBL2021413 0.88 MAOB (0.41) PIM1AKT2SREBF2KDM4EMAPT
SCHEMBL2955054 0.88 PIM1 (0.55) PIM1AKT2SREBF2KDM4EMAPT
SCHEMBL2971404 0.88 MAOB (0.39) PIM1AKT2SREBF2KDM4EMAPT
SCHEMBL2963788 0.86 PIM1 (0.47) PIM1AKT2SREBF2KDM4EMAPT
SCHEMBL2968800 0.85 MAOB (0.40) PIM1AKT2MAPTALDH1A1MEN1

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 PIM1 2963/4885AKT2 3903/4885SREBF2 876/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885SREBF2 876/4885

“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.