SCHEMBL7559457

SCHEMBL7559457

CN1C(=N)N[C@](C)(c2ccc(C#N)cc2)C(c2ccc(C(C)(C)C)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
MGAT2 Q10469 2/20 0.36
EPHX2 P34913 1/20 0.32
ELANE P08246 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTT P42858 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL13054165 1.00 KIF11 (0.38) KIF11MGAT2EPHX2ELANECYP3A4
SCHEMBL8195595 1.00 KIF11 (0.38) KIF11MGAT2EPHX2ELANECYP3A4
SCHEMBL7576035 0.88 BACE1 (0.36) MGAT2ELANEGRIN2B
SCHEMBL7544880 0.88 BACE1 (0.36) MGAT2ELANEGRIN2B
SCHEMBL7589834 0.87 KIF11 (0.38) KIF11MGAT2EPHX2CYP3A4HTT
SCHEMBL7576610 0.86 FASN (0.34)
SCHEMBL7551254 0.86 FASN (0.34)
SCHEMBL7601012 0.86 CYP19A1 (0.36)
SCHEMBL7581539 0.86 TP53 (0.34) HTT
SCHEMBL13054757 0.86 TP53 (0.34) HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 KIF11 3749/4885MGAT2 1683/4885EPHX2 821/4885

“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.