SCHEMBL3201926

SCHEMBL3201926

O=C(O)c1ccn(-c2ccc(F)cc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIK2 Q13002 1/20 0.42
GRIK3 Q13003 1/20 0.42
GRIK4 Q16099 1/20 0.42
GRIK5 Q16478 1/20 0.42
AKR1B1 P15121 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41

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
SCHEMBL4645055 0.76 TUBB4A (0.54) AKR1B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4647029 0.75 ALKBH1 (0.56) NPC1RAB9AALKBH1
SCHEMBL30529091 0.75 ALKBH1 (0.56) NPC1RAB9AALKBH1
SCHEMBL28150796 0.75 AKR1B1 (0.51) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL30516398 0.74 GRIK1 (0.39) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL31019970 0.72 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4PTGS1
SCHEMBL28845189 0.72 AKR1B1 (0.52) AKR1B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL34470116 0.72 MYC (0.40) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL182470 0.72 BCL2L1 (0.51) BCL2L1BAD
SCHEMBL3191314 0.71 NOTUM (0.46) GRIK1GRIA1GRIA2GRIA3GRIA4

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-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 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-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB GRIK1 631/4885GRIA1 1012/4885GRIA2 1753/4885

“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.