SCHEMBL2018173

SCHEMBL2018173

CCOc1ccc2c(Nc3cc(C)ccc3Sc3ccc(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
MAPKAPK2 P49137 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RIPK2 O43353 2/20 0.32
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
KDR P35968 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GAA P10253 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
SCHEMBL2968398 0.90 PIM1 (0.41) PIM1AKT2MAPKAPK2LMNAKDM4E
SCHEMBL2019804 0.87 PIM1 (0.41) PIM1AKT2MAPKAPK2SMN1; SMN2KDM4E
SCHEMBL2015588 0.86 PIM1 (0.49) PIM1AKT2MAPKAPK2KDM4ERIPK2
SCHEMBL2961869 0.85 PIM1 (0.42) PIM1AKT2MAPKAPK2LMNASMN1; SMN2
SCHEMBL2021349 0.84 PIM1 (0.40) PIM1AKT2MAPKAPK2SMN1; SMN2KDM4E
SCHEMBL2969094 0.84 PIM1 (0.39) PIM1AKT2MAPKAPK2KDM4ERIPK2
SCHEMBL2961106 0.82 PIM1 (0.44) PIM1AKT2LMNASMN1; SMN2KDM4E
SCHEMBL2957245 0.82 PIM1 (0.39) PIM1AKT2MAPKAPK2RIPK2KDR
SCHEMBL2960946 0.81 RIPK2 (0.41) PIM1AKT2MAPKAPK2SMN1; SMN2KDM4E
SCHEMBL2968986 0.79 PIM1 (0.41) PIM1AKT2MAPKAPK2LMNAKDM4E

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 11 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-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 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-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (3 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAPKAPK2 3663/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAPKAPK2 3663/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAPKAPK2 3663/4885

“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.