SCHEMBL2910318

SCHEMBL2910318

CCc1ccc(-c2c[nH]c(CCCN3C(=O)c4ccccc4C3=O)c2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
RPS6KA2 Q15349 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL2913045 0.74 MAPT (0.54) MAPTTDP1MEN1LMNAKMT2A
SCHEMBL2910320 0.73 RPS6KA2 (0.44) TDP1RPS6KA2L3MBTL1MAOBALDH1A1
SCHEMBL11018527 0.69 RAB9A (0.51) MAPTTDP1LMNARPS6KA2L3MBTL1
SCHEMBL10927981 0.69 TDP1 (0.66) TDP1L3MBTL1ALDH1A1
SCHEMBL6283135 0.69 TDP1 (0.66) TDP1L3MBTL1ALDH1A1
SCHEMBL6285932 0.68 TDP1 (0.69) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6287318 0.67 RPS6KA2 (0.58) MAPTKMT2AHTTRPS6KA2SMN1; SMN2
SCHEMBL6283360 0.67 TDP1 (0.71) TDP1MEN1KMT2AL3MBTL1
SCHEMBL19398817 0.65 RPS6KA2 (0.63) MAPTKMT2AHTTRPS6KA2SMN1; SMN2
SCHEMBL45050 0.65 TDP1 (0.86) MAPTTDP1L3MBTL1MAOBSMN1; SMN2

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 156/4885TDP1 339/4885MEN1 2637/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB MAPT 156/4885TDP1 339/4885MEN1 2637/4885

“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.