SCHEMBL2913045

SCHEMBL2913045

Nc1c(-c2ccc(Cl)cc2Cl)c[nH]c1CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 3/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
TP53 P04637 1/20 0.54
DRD2 P14416 1/20 0.42
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.40
ACHE P22303 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2911944 0.83 MAPT (0.50) MAPTMEN1LMNAKMT2ATDP1
SCHEMBL2911529 0.80 MAPT (0.45) MAPTMEN1LMNAKMT2ATDP1
SCHEMBL2910318 0.74 MAPT (0.44) MAPTMEN1LMNAKMT2ATDP1
SCHEMBL2913050 0.74 MEN1 (0.43) MAPTMEN1LMNAKMT2ATDP1
SCHEMBL5422820 0.68 TDP1 (0.66) KMT2ATDP1TSHR
SCHEMBL7529248 0.67 RAB9A (0.56) MAPTMEN1LMNAKMT2ATDP1
SCHEMBL21802151 0.66 DRD2 (0.70) MEN1KMT2ADRD2
SCHEMBL2911945 0.66 HSD11B1 (0.47) MAPTMEN1LMNAKMT2ATDP1
SCHEMBL4328661 0.65 TDP1 (0.53) MAPTMEN1LMNAKMT2ATDP1
SCHEMBL17260644 0.65 MAPT (0.55) MAPTMEN1LMNAKMT2ATDP1

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 7 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-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
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 MAPT 156/4885MEN1 2637/4885LMNA 1504/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB MAPT 156/4885MEN1 2637/4885LMNA 1504/4885

“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.