SCHEMBL1455115

SCHEMBL1455115

Cc1ccc2c(Nc3cc(C(=O)NCc4ccc(Br)cc4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.58
AKT2 P31751 1/20 0.58
TP53 P04637 5/20 0.47
RXFP1 Q9HBX9 1/20 0.44
BLM P54132 2/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
BACE1 P56817 1/20 0.37
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
BRAF P15056 1/20 0.36
MAPT P10636 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
SCHEMBL1454529 0.92 PIM1 (0.60) PIM1AKT2TP53RXFP1BLM
SCHEMBL1454915 0.88 PIM1 (0.45) PIM1AKT2TP53RXFP1BLM
SCHEMBL1455262 0.88 PIM1 (0.58) PIM1AKT2BRAF
SCHEMBL1454196 0.88 PIM1 (0.72) PIM1AKT2TP53RXFP1BLM
SCHEMBL810627 0.85 PIM1 (0.61) PIM1AKT2HTT
SCHEMBL1454678 0.84 PIM1 (0.56) PIM1AKT2TP53RXFP1SMN1; SMN2
SCHEMBL810708 0.84 PIM1 (0.69) PIM1AKT2SMN1; SMN2HTTALDH1A1
SCHEMBL1454817 0.83 TP53 (0.42) PIM1AKT2TP53RXFP1BLM
SCHEMBL810522 0.83 PIM1 (0.77) PIM1AKT2BLMSMN1; SMN2HTT
SCHEMBL1454641 0.83 PIM1 (0.58) PIM1AKT2SMN1; SMN2KDM4EMAPT

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
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-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 (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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885TP53 465/4885

“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.