SCHEMBL13054874

SCHEMBL13054874

CN1C(=N)N[C@](C)(c2cc3c(s2)COc2ccc(C#N)cc2-3)[C@H](c2ccc(C3CC3)cc2)C1=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.31
ALK Q9UM73 2/20 0.31
ABL1 P00519 1/20 0.31
INSR P06213 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
SRC P12931 1/20 0.31
FGFR2 P21802 1/20 0.31

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
SCHEMBL7600649 1.00 KDR (0.31) KDRALKABL1INSRIGF1R
SCHEMBL7567253 0.89
SCHEMBL13054508 0.89
SCHEMBL14105182 0.89 PIK3CD (0.30)
SCHEMBL13081563 0.88
SCHEMBL7560450 0.86 ABCB1 (0.32)
SCHEMBL13054168 0.86 ABCB1 (0.32)
SCHEMBL13558482 0.80 STS (0.36) KDRALKABL1INSRIGF1R
SCHEMBL14105459 0.79
SCHEMBL7564963 0.78 BACE1 (0.37)

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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 KDR 3864/4885ALK 4402/4885ABL1 4763/4885

“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.