SCHEMBL2969828

SCHEMBL2969828

Cc1ccc2c(Nc3cc(OCc4ccc(Cl)cc4)ccc3Sc3ccc(O)cc3)ccnc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
AKT2 P31751 1/20 0.55
MAOB P27338 6/20 0.37
MAOA P21397 5/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
SLC26A4 O43511 1/20 0.35
MAPKAPK2 P49137 1/20 0.33
RIPK2 O43353 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL2965523 0.91 PIM1 (0.55) PIM1AKT2MAOBMAOAACHE
SCHEMBL2954780 0.91 PIM1 (0.59) PIM1AKT2MAOBMAOAACHE
SCHEMBL2961613 0.91 PIM1 (0.60) PIM1AKT2MAOBMAOAACHE
SCHEMBL2964540 0.91 PIM1 (0.54) PIM1AKT2MAOBMAOAACHE
SCHEMBL2964171 0.89 PIM1 (0.45) PIM1AKT2MAOBMAOAACHE
SCHEMBL2968807 0.88 PIM1 (0.42) PIM1AKT2MAOBMAOAMAPT
SCHEMBL2969836 0.86 PIM1 (0.55) PIM1AKT2MAOBMAOAMAPT
SCHEMBL2971513 0.86 PIM1 (0.54) PIM1AKT2MAOAMAPTKMT2A
SCHEMBL2963629 0.86 PIM1 (0.58) PIM1AKT2MAOBMAOA
SCHEMBL2969945 0.86 PIM1 (0.54) PIM1AKT2MAOBMAOAACHE

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 PIM1 2963/4885AKT2 3903/4885MAOB 3352/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAOB 3352/4885

“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.