SCHEMBL1455643

SCHEMBL1455643

CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](C)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
AKT2 P31751 1/20 0.40
MAPK14 Q16539 2/20 0.38
TYMS P04818 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL1454751 1.00 PIM1 (0.40) PIM1AKT2MAPK14TYMSFLT3
SCHEMBL1456084 1.00 PIM1 (0.40) PIM1AKT2MAPK14TYMSFLT3
SCHEMBL1455082 0.93 HPGDS (0.44) PIM1AKT2
SCHEMBL1455077 0.93 HPGDS (0.44) PIM1AKT2
SCHEMBL1455360 0.93 PIM1 (0.38) PIM1AKT2
SCHEMBL1455364 0.93 PIM1 (0.38) PIM1AKT2
SCHEMBL1456242 0.93 MAPK1 (0.37) PIM1AKT2FLT3
SCHEMBL1455398 0.93 PIM1 (0.47) PIM1AKT2MAPK14
SCHEMBL1455401 0.93 PIM1 (0.47) PIM1AKT2MAPK14
SCHEMBL1454862 0.92 ROCK2 (0.38) 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 3 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
US-20070232627-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 (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 3903/4885MAPK14 2567/4885

“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.