SCHEMBL2961459

SCHEMBL2961459

CNC(=O)c1cccc(Sc2ccc(C)cc2Nc2ccnc3nc(C)ccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
PIM1 P11309 1/20 0.35
AKT2 P31751 1/20 0.35
SCN9A Q15858 5/20 0.34
GRM5 P41594 1/20 0.34
IDE P14735 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ABL1 P00519 1/20 0.33
GCK P35557 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DNMT1 P26358 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
DNMT3L Q9UJW3 1/20 0.33
DNMT3A Q9Y6K1 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
LMNA P02545 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
SCHEMBL2964026 0.90 PARP1 (0.36) PIM1AKT2
SCHEMBL2959916 0.90 PIM1 (0.38) PIM1AKT2SCN9ATP53MAPT
SCHEMBL2961874 0.89 SCN9A (0.34) POLBSCN9AIDERAB9ANPC1
SCHEMBL2956184 0.88 EPHB4 (0.36) POLBPIM1AKT2GRM5GCK
SCHEMBL2970305 0.86 PIM1 (0.38) PIM1AKT2GRM5GCKMAPT
SCHEMBL2021057 0.85 PIM1 (0.41) PIM1AKT2MAPT
SCHEMBL2968577 0.84 KDR (0.41) PIM1AKT2RAB9ANPC1TP53
SCHEMBL2018796 0.83 PIM1 (0.42) POLBPIM1AKT2MAPTTDP1
SCHEMBL2019054 0.81 ICAM1 (0.40) PIM1AKT2TP53MAPTTDP1
SCHEMBL2968986 0.81 PIM1 (0.41) PIM1AKT2TP53MAPTTDP1

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 POLB 442/4885PIM1 2963/4885AKT2 3903/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 POLB 442/4885PIM1 2963/4885AKT2 3903/4885

“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.