SCHEMBL2019804

SCHEMBL2019804

CCc1ccc2c(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 0.36
HTR1A P08908 4/20 0.34
ADRA1D P25100 4/20 0.34
ADRA1A P35348 4/20 0.34
ADRA1B P35368 4/20 0.34
KDM4E B2RXH2 1/20 0.34
RIPK2 O43353 3/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RET P07949 2/20 0.31
MAPK14 Q16539 2/20 0.31
LCK P06239 1/20 0.31
OPRK1 P41145 2/20 0.31

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
SCHEMBL2961869 0.92 PIM1 (0.42) PIM1AKT2MAPKAPK2HTR1AADRA1D
SCHEMBL2969094 0.90 PIM1 (0.39) PIM1AKT2MAPKAPK2HTR1AADRA1D
SCHEMBL2021121 0.90 HTR1A (0.36) PIM1AKT2MAPKAPK2HTR1AADRA1D
SCHEMBL2015588 0.89 PIM1 (0.49) PIM1AKT2MAPKAPK2HTR1AADRA1D
SCHEMBL2968994 0.88 PIM1 (0.37) PIM1AKT2HTR1AADRA1DADRA1A
SCHEMBL2018173 0.87 PIM1 (0.41) PIM1AKT2MAPKAPK2HTR1AADRA1D
SCHEMBL2961423 0.87 AURKA (0.40) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL2021349 0.87 PIM1 (0.40) PIM1AKT2MAPKAPK2KDM4ERIPK2
SCHEMBL2968398 0.85 PIM1 (0.41) PIM1AKT2MAPKAPK2KDM4ERIPK2
SCHEMBL2957245 0.85 PIM1 (0.39) PIM1AKT2MAPKAPK2RIPK2GAA

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.