SCHEMBL2913050

SCHEMBL2913050

Nc1cn(CCCN2C(=O)c3ccccc3C2=O)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42
ACHE P22303 4/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL2911945 0.82 HSD11B1 (0.47) MEN1LMNATP53MAPTKMT2A
SCHEMBL2911530 0.78 MAPT (0.40) MAPTACHEALDH1A1
SCHEMBL2910229 0.78 HTT (0.45) MEN1LMNAMAPTKMT2AHTT
SCHEMBL1219377 0.77 HTT (0.42) MEN1LMNATP53MAPTKMT2A
SCHEMBL14400839 0.77 HTT (0.42) MEN1LMNATP53MAPTKMT2A
SCHEMBL2913045 0.74 MAPT (0.54) MEN1LMNATP53MAPTKMT2A
SCHEMBL2910320 0.72 RPS6KA2 (0.44) TDP1ACHEALDH1A1
SCHEMBL7529248 0.69 RAB9A (0.56) MEN1LMNATP53MAPTKMT2A
SCHEMBL4351612 0.69 TDP1 (0.66) MEN1MAPTKMT2ATDP1
SCHEMBL20358476 0.67 TDP1 (0.56) TDP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
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-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
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
EP-1537099-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-06-08 EP disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 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 (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-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MEN1 2637/4885LMNA 1504/4885TP53 582/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB MEN1 2637/4885LMNA 1504/4885TP53 582/4885

“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.