SCHEMBL2964540

SCHEMBL2964540

Cc1ccc2c(Nc3cc(OCc4cccc(Cl)c4)ccc3Sc3ccc(O)cc3)ccnc2n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.54
AKT2 P31751 1/20 0.54
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.38
SLC26A4 O43511 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2969828 0.91 PIM1 (0.55) PIM1AKT2MAOAMAOBACHE
SCHEMBL2961613 0.91 PIM1 (0.60) PIM1AKT2MAOAMAOBACHE
SCHEMBL2963629 0.90 PIM1 (0.58) PIM1AKT2MAOAMAOB
SCHEMBL2969945 0.90 PIM1 (0.54) PIM1AKT2MAOAMAOBACHE
SCHEMBL2960452 0.90 PIM1 (0.45) PIM1AKT2MAOAMAOBACHE
SCHEMBL2969138 0.89 PIM1 (0.41) PIM1AKT2MAOAMAOB
SCHEMBL2954780 0.86 PIM1 (0.59) PIM1AKT2MAOAMAOBACHE
SCHEMBL2965523 0.86 PIM1 (0.55) PIM1AKT2MAOAMAOBACHE
SCHEMBL2971513 0.85 PIM1 (0.54) PIM1AKT2MAOAMEN1KMT2A
SCHEMBL2968512 0.85 PIM1 (0.54) PIM1AKT2MAOAMAOBMEN1

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-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-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 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 (4 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 PIM1 1832/4885AKT2 1116/4885MAOA 4395/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 PIM1 1803/4885AKT2 960/4885MAOA 4316/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAOA 3771/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAOA 3771/4885

“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.