SCHEMBL1455834

SCHEMBL1455834

CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccc(Cl)cc4)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.38
EGFR P00533 2/20 0.37
SRC P12931 1/20 0.37
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
PIM1 P11309 1/20 0.34
AKT2 P31751 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL1455837 1.00 CDK1 (0.38) CDK1EGFRSRCAURKAAURKB
SCHEMBL1455481 0.94 AURKA (0.36) CDK1AURKAAURKBPIM1AKT2
SCHEMBL1455483 0.94 AURKA (0.36) CDK1AURKAAURKBPIM1AKT2
SCHEMBL1454689 0.93 PIM1 (0.37) EGFRAURKAAURKBPIM1AKT2
SCHEMBL1454691 0.93 PIM1 (0.37) EGFRAURKAAURKBPIM1AKT2
SCHEMBL1455269 0.93 ROCK2 (0.36) AURKAAURKBPIM1AKT2
SCHEMBL1455268 0.93 ROCK2 (0.36) AURKAAURKBPIM1AKT2
SCHEMBL1454811 0.93 AURKA (0.39) AURKAAURKBPIM1AKT2
SCHEMBL1456055 0.93 AURKA (0.39) AURKAAURKBPIM1AKT2
SCHEMBL1454812 0.93 AURKA (0.39) AURKAAURKBPIM1AKT2

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 CDK1 308/4885EGFR 2701/4885SRC 1443/4885

“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.