SCHEMBL2970313

SCHEMBL2970313

CCCOc1ccc(Sc2ccc(C)cc2Nc2ccnc3nc(C)ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
AKT2 P31751 1/20 0.45
MAPT P10636 6/20 0.36
PDGFRB P09619 3/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL2961106 0.92 PIM1 (0.44) PIM1AKT2MAPTPDGFRBNPC1
SCHEMBL2962035 0.88 PIM1 (0.43) PIM1AKT2MAPTLMNAKDM4E
SCHEMBL2968986 0.88 PIM1 (0.41) PIM1AKT2MAPTPDGFRBLMNA
SCHEMBL2957091 0.86 PIM1 (0.43) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL2971384 0.86 PIM1 (0.42) PIM1AKT2MAPTNPC1RAB9A
SCHEMBL2961811 0.85 PIM1 (0.46) PIM1AKT2MAPTSMN1; SMN2LMNA
SCHEMBL2964092 0.85 PIM1 (0.42) PIM1AKT2MAPTALDH1A1GAA
SCHEMBL2965209 0.84 PIM1 (0.46) PIM1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL2968944 0.84 PIM1 (0.39) PIM1AKT2MAPTNPC1RAB9A
SCHEMBL2015588 0.84 PIM1 (0.49) PIM1AKT2MAPTNPC1RAB9A

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 8 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
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN 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.