SCHEMBL2961779

SCHEMBL2961779

Cc1ccc2c(Nc3cc(CNC(=O)O)ccc3Sc3ccccc3)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
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 3/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADORA2A P29274 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
ADORA1 P30542 1/20 0.34
GALR3 O60755 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2015603 0.90 PIM1 (0.39) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL2960981 0.88 PIM1 (0.43) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL2054424 0.85 PIM1 (0.39) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL2018796 0.83 PIM1 (0.42) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL13273747 0.82 PIM1 (0.39) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL2961966 0.82 PIM1 (0.40) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL2969129 0.82 ABCG2 (0.42) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL13273825 0.82 PIM1 (0.41) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL2968817 0.81 TDP1 (0.43) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL2961780 0.81 PIM1 (0.39) PIM1AKT2MAPTSMN1; SMN2LMNA

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 10 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-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 (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 3903/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAPT 1347/4885

“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.