SCHEMBL1456239

SCHEMBL1456239

CC(C)c1ccc2c(Nc3cc(C(=O)NC(C)c4ccc(Cl)cc4)ccc3Sc3ccc(N)cc3)ncnc2n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
AKT2 P31751 1/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRSS12 P56730 1/20 0.34
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1456236 1.00 PIM1 (0.36) PIM1AKT2MAPTKDM4ELMNA
SCHEMBL1455364 0.93 PIM1 (0.38) PIM1AKT2KDM4EALDH1A1KMT2A
SCHEMBL1455360 0.93 PIM1 (0.38) PIM1AKT2KDM4EALDH1A1KMT2A
SCHEMBL1455348 0.93 PIM1 (0.39) PIM1AKT2LMNAALDH1A1HPGD
SCHEMBL1454859 0.93 ROCK2 (0.38) PIM1AKT2
SCHEMBL1455345 0.93 PIM1 (0.39) PIM1AKT2LMNAALDH1A1HPGD
SCHEMBL1454862 0.93 ROCK2 (0.38) PIM1AKT2
SCHEMBL1456084 0.92 PIM1 (0.40) PIM1AKT2
SCHEMBL1455643 0.92 PIM1 (0.40) PIM1AKT2
SCHEMBL1454751 0.92 PIM1 (0.40) PIM1AKT2

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 3903/4885MAPT 1347/4885

“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.