SCHEMBL2969836

SCHEMBL2969836

Cc1ccc2c(Nc3cc(COc4ccc(Br)cc4)ccc3Sc3ccc(O)cc3)ccnc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
AKT2 P31751 1/20 0.55
MMP12 P39900 1/20 0.33
MAOA P21397 6/20 0.33
MAOB P27338 6/20 0.33
AR P10275 1/20 0.33
RIPK2 O43353 1/20 0.32
KDR P35968 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC26A4 O43511 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2954780 0.95 PIM1 (0.59) PIM1AKT2MAOAMAOBAR
SCHEMBL2971513 0.91 PIM1 (0.54) PIM1AKT2MMP12MAOARIPK2
SCHEMBL2968512 0.91 PIM1 (0.54) PIM1AKT2MAOAMAOBSMN1; SMN2
SCHEMBL2963629 0.89 PIM1 (0.58) PIM1AKT2MAOAMAOB
SCHEMBL2969828 0.86 PIM1 (0.55) PIM1AKT2MMP12MAOAMAOB
SCHEMBL2965523 0.86 PIM1 (0.55) PIM1AKT2MAOAMAOBKDR
SCHEMBL2961613 0.86 PIM1 (0.60) PIM1AKT2MAOAMAOBKDR
SCHEMBL2969904 0.85 PIM1 (0.48) PIM1AKT2MAOAMAOBAR
SCHEMBL2969945 0.84 PIM1 (0.54) PIM1AKT2MAOAMAOB
SCHEMBL2965288 0.84 PIM1 (0.49) PIM1AKT2MAOAMAOBAR

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 5 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
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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 3903/4885MMP12 2181/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MMP12 2181/4885

“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.