SCHEMBL6460701

SCHEMBL6460701

[c]1nccc(-c2ccc(-c3ncc[nH]3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.53
MTOR P42345 3/20 0.52
ADK P55263 1/20 0.52
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PARP1 P09874 1/20 0.35

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
SCHEMBL409012 0.85 NISCH (0.44) NISCHMTORADKPDE3BPDE3A
SCHEMBL722191 0.79 NISCH (0.78) NISCHMTORADKPDE3BPDE3A
SCHEMBL862114 0.77 NISCH (0.75) NISCHMTORADKPDE3BPDE3A
SCHEMBL29446004 0.74 NISCH (0.55) NISCHMTORADKPDE3BPDE3A
SCHEMBL4035718 0.74 NISCH (0.64) NISCHMTORADKPDE3BPDE3A
SCHEMBL7025252 0.73 DGAT1 (0.36) ALDH1A1KDM4E
SCHEMBL3597375 0.72 RAB9A (0.41) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL557899 0.71 KMT2A (0.41) NISCHMTORADKALDH1A1MEN1
SCHEMBL1832864 0.71 LMNA (0.43) NISCHKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL28823231 0.71 NISCH (0.67) NISCHMTORADKPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203059-A1 Methods and compositions for treatment of ischemia HARRISON STEPHEN D (US) 2005-09-15 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO 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-20050203059-A1 Methods and compositions for treatment of ischemia PYGB, GSK3B, GSK3A NISCH 3815/4885MTOR 612/4885ADK 1059/4885

“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.