SCHEMBL13469261

SCHEMBL13469261

Bc1cn2cc(C#N)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
CSNK1D P48730 1/20 0.47
CSNK1G2 P78368 1/20 0.47
ALDH1A3 P47895 2/20 0.45
AHR P35869 2/20 0.39
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
METTL3 Q86U44 1/20 0.36
CYP2A6 P11509 1/20 0.34
GPR39 O43194 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TRPA1 O75762 1/20 0.33
EGLN2 Q96KS0 2/20 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
SCHEMBL18443123 0.78 APP (0.54) APPCSNK1DCSNK1G2ALDH1A3AHR
SCHEMBL10053493 0.78 APP (0.54) APPCSNK1DCSNK1G2ALDH1A3AHR
SCHEMBL4897330 0.74 APP (0.47) APPCSNK1DCSNK1G2ALDH1A3AHR
SCHEMBL22499286 0.74 APP (0.47) APPCSNK1DCSNK1G2ALDH1A3AHR
SCHEMBL4952001 0.74 ALDH1A3 (0.78) APPALDH1A3ALDH1A1NPC1RAB9A
SCHEMBL10311039 0.74 CSNK1D (0.57) APPCSNK1DCSNK1G2ALDH1A3AHR
SCHEMBL10311331 0.74 APP (0.50) APPCSNK1DCSNK1G2ALDH1A3AHR
SCHEMBL3782018 0.74 SCN5A (0.49) APPCSNK1DCSNK1G2ALDH1A3AHR
SCHEMBL10022395 0.74 APP (0.50) APPCSNK1DCSNK1G2ALDH1A3AHR
SCHEMBL25774521 0.74 APP (0.47) APPCSNK1DCSNK1G2ALDH1A3AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120263646-A1 IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES GUERBET (FR) 2012-10-18 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-20120263646-A1 IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES SNCA, PSEN2, CLN6 APP 10/4885CSNK1D 4658/4885CSNK1G2 4481/4885

“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.