SCHEMBL5028150

SCHEMBL5028150

CN(C(=O)O)c1ccc(C#N)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
OXTR P30559 3/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
ITK Q08881 1/20 0.35
CHEK1 O14757 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
CTSA P10619 1/20 0.34
BRAF P15056 1/20 0.34
PANK3 Q9H999 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
AOC3 Q16853 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
EPHX2 P34913 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL27961410 0.79 AR (0.37) ARKCNQ3KCNQ2CHEK1CTSA
SCHEMBL21459806 0.79 AR (0.37) ARKCNQ3KCNQ2CHEK1CTSA
SCHEMBL27582956 0.79 PAX8 (0.43) AROXTRBRAFGPBAR1AOC3
SCHEMBL129142 0.77 ALDH1A1 (0.42) ARCHEK1PANK3EGLN2
SCHEMBL1081803 0.77 NPSR1 (0.41) ARKCNQ3KCNQ2CHEK1CTSA
SCHEMBL27663663 0.75 GABRP (0.48) OXTRHDAC6
SCHEMBL20576848 0.75 OXTR (0.41) OXTR
SCHEMBL152511 0.74 CHEK1 (0.42) CHEK1OPRM1OPRL1EGLN2
SCHEMBL175286 0.73 EGLN2 (0.36) ARKCNQ3KCNQ2CHEK1OPRM1
SCHEMBL2767198 0.72 KCNH2 (0.37) OXTR

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
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
US-7125883-B1 Integrin receptor ligands ABBOTT GMBH & CO. KG (DE) 2006-10-24 US disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B AR 1895/4885OXTR 917/4885KCNQ3 2178/4885

“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.