SCHEMBL2961613

SCHEMBL2961613

Cc1ccc2c(Nc3cc(OCc4ccccc4)ccc3Sc3ccc(O)cc3)ccnc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.60
AKT2 P31751 1/20 0.60
MAOA P21397 2/20 0.39
DYRK1A Q13627 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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) PIM1AKT2MAOAMEN1KMT2A
SCHEMBL2965523 0.91 PIM1 (0.55) PIM1AKT2MAOAMEN1KMT2A
SCHEMBL2954780 0.91 PIM1 (0.59) PIM1AKT2MAOAMEN1KMT2A
SCHEMBL2971513 0.91 PIM1 (0.54) PIM1AKT2MAOAMEN1KMT2A
SCHEMBL2964540 0.91 PIM1 (0.54) PIM1AKT2MAOAMEN1KMT2A
SCHEMBL2963629 0.91 PIM1 (0.58) PIM1AKT2MAOAMAOB
SCHEMBL2969945 0.91 PIM1 (0.54) PIM1AKT2MAOAMAOBACHE
SCHEMBL2957055 0.89 PIM1 (0.49) PIM1AKT2MEN1KMT2AMAPT
SCHEMBL2962127 0.89 PIM1 (0.50) PIM1AKT2MAOAMEN1KMT2A
SCHEMBL2961861 0.88 PIM1 (0.46) PIM1AKT2MAOAMEN1KMT2A

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 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.