SCHEMBL5850489

SCHEMBL5850489

Oc1ccc(Oc2cncc(C=C[C@H]3CCCN3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.45
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
ROCK2 O75116 2/20 0.37
MAP4K4 O95819 2/20 0.37
PRKACA P17612 2/20 0.37
ROCK1 Q13464 2/20 0.37
DYRK1A Q13627 2/20 0.37
PKN2 Q16513 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
CHUK O15111 1/20 0.37
DYRK3 O43781 1/20 0.37
PIM1 P11309 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CLK2 P49760 1/20 0.37
PRKX P51817 1/20 0.37
PRKG2 Q13237 1/20 0.37
PRKG1 Q13976 1/20 0.37
KHK P50053 1/20 0.35
MEN1 O00255 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
SCHEMBL5848605 1.00 AKT1 (0.45) AKT1CHRNB4CHRNA3ROCK2MAP4K4
SCHEMBL5848620 1.00 AKT1 (0.45) AKT1CHRNB4CHRNA3ROCK2MAP4K4
SCHEMBL5849340 0.88 AKT1 (0.45) AKT1CHRNB4CHRNA3ROCK2MAP4K4
SCHEMBL5849329 0.88 AKT1 (0.45) AKT1CHRNB4CHRNA3ROCK2MAP4K4
SCHEMBL5850636 0.88 AKT1 (0.45) AKT1CHRNB4CHRNA3ROCK2MAP4K4
SCHEMBL5849085 0.85 AKT1 (0.47) AKT1CHRNB4CHRNA3ROCK2MAP4K4
SCHEMBL5848897 0.85 AKT1 (0.47) AKT1CHRNB4CHRNA3ROCK2MAP4K4
SCHEMBL5848903 0.85 AKT1 (0.47) AKT1CHRNB4CHRNA3ROCK2MAP4K4
SCHEMBL5849534 0.80 SMN1; SMN2 (0.42) AKT1MEN1KMT2A
SCHEMBL5849062 0.80 SMN1; SMN2 (0.42) AKT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101896-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-09-05 US disclosed
US-20050267111-A1 Pharmaceutical compositions and methods for use DULL GARY M 2005-12-01 US disclosed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 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 (2 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-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 AKT1 3325/4885CHRNB4 652/4885CHRNA3 427/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 AKT1 3325/4885CHRNB4 652/4885CHRNA3 427/4885

“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.