SCHEMBL2961869

SCHEMBL2961869

CCCc1ccc2c(Nc3cc(C)ccc3Sc3ccc(O)cc3)ccnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
AKT2 P31751 1/20 0.42
SREBF2 Q12772 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
HTR1A P08908 3/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
MAPT P10636 3/20 0.32
ATM Q13315 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RIPK2 O43353 1/20 0.32
GAA P10253 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL2019804 0.92 PIM1 (0.41) PIM1AKT2KDM4EMAPKAPK2HTR1A
SCHEMBL2962976 0.90 ALDH1A1 (0.35) PIM1AKT2SREBF2KDM4EHTR1A
SCHEMBL2970865 0.90 SREBF2 (0.36) PIM1AKT2SREBF2KDM4EHTR1A
SCHEMBL2961431 0.90 PIM1 (0.36) PIM1AKT2SREBF2KDM4EHTR1A
SCHEMBL2965230 0.90 SREBF2 (0.37) PIM1AKT2SREBF2KDM4EHTR1A
SCHEMBL2968588 0.89 SREBF2 (0.38) PIM1AKT2SREBF2KDM4EHTR1A
SCHEMBL2969094 0.89 PIM1 (0.39) PIM1AKT2KDM4EMAPKAPK2HTR1A
SCHEMBL2019101 0.88 HTR1A (0.33) PIM1AKT2SREBF2KDM4EHTR1A
SCHEMBL2961153 0.88 SREBF2 (0.44) SREBF2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL2969119 0.87 KDM4E (0.40) PIM1AKT2KDM4EMAPTALDH1A1

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.