SCHEMBL1456231

SCHEMBL1456231

CCN(C(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
AKT2 P31751 1/20 0.36
CDK1 P06493 1/20 0.35
KDM4E B2RXH2 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
PRMT1 Q99873 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
SCHEMBL1455220 0.93 PIM1 (0.36) PIM1AKT2CDK1EGFRSRC
SCHEMBL1455058 0.89 KDR (0.39) PIM1AKT2CDK1KDM4EAURKA
SCHEMBL15912555 0.86 MAP4K4 (0.41) PIM1AKT2CDK1EGFRSRC
SCHEMBL1455601 0.86 TP53 (0.47) PIM1AKT2KDM4EAURKA
SCHEMBL1455547 0.86 AURKA (0.39) PIM1AKT2CDK1KDM4EEGFR
SCHEMBL5054510 0.85 PIM1 (0.37) PIM1AKT2
SCHEMBL13273740 0.85 PIM1 (0.40) PIM1AKT2CDK1EGFRSRC
SCHEMBL2427495 0.85 PIM1 (0.38) PIM1AKT2CDK1EGFRSRC
SCHEMBL1454389 0.85 PIM1 (0.38) PIM1AKT2CDK1EGFRSRC
SCHEMBL1455483 0.85 AURKA (0.36) PIM1AKT2CDK1AURKAAURKB

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 3903/4885CDK1 308/4885

“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.