SCHEMBL811634

SCHEMBL811634

Cc1ccc2c(Nc3cc(/C=C/c4ccccc4)ccc3Sc3ccccc3)ncnc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
AKT2 P31751 1/20 0.55
KDR P35968 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RIPK1 Q13546 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
EGFR P00533 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ERBB2 P04626 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM5 P41594 1/20 0.32
RAB9A P51151 1/20 0.32
GRM4 Q14833 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL811635 1.00 PIM1 (0.55) PIM1AKT2KDRSMN1; SMN2RIPK1
SCHEMBL811733 0.93 PIM1 (0.64) PIM1AKT2KDRSMN1; SMN2MAPT
SCHEMBL811734 0.93 PIM1 (0.64) PIM1AKT2KDRSMN1; SMN2MAPT
SCHEMBL13273834 0.87 PIM1 (0.58) PIM1AKT2SMN1; SMN2LMNAMAPT
SCHEMBL810954 0.87 PIM1 (0.58) PIM1AKT2SMN1; SMN2LMNAMAPT
SCHEMBL811294 0.85 PIM1 (0.61) PIM1AKT2SMN1; SMN2LMNAMAPT
SCHEMBL28776385 0.85 PIM1 (0.41) PIM1AKT2KDRSMN1; SMN2RIPK1
SCHEMBL13306076 0.84 PIM1 (0.56) PIM1AKT2SMN1; SMN2LMNAMAPT
SCHEMBL13273828 0.83 PIM1 (0.54) PIM1AKT2SMN1; SMN2LMNAMAPT
SCHEMBL13273829 0.82 PIM1 (0.53) PIM1AKT2SMN1; SMN2LMNAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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 (1 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885KDR 3293/4885

“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.