SCHEMBL5089108

SCHEMBL5089108

CCOC(=O)c1ccc(Cl)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSP90AA1 P07900 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
DHODH Q02127 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 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
SCHEMBL5091732 0.83 ALDH1A1 (0.61) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL474055 0.79 KDM4E (0.57) MAPTKDM4EJUNNFKB1NFKB2
SCHEMBL2858512 0.79 TRPV1 (0.51) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL16974089 0.77 KDM4E (0.50) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL15392274 0.77 HSD17B10 (0.55) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL2491226 0.77 MEN1 (0.62) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL6637844 0.76 MAPT (0.51) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL5265309 0.76 ALDH1A1 (0.51) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5773409 0.76 MAPT (0.49) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL11385813 0.76 MAPT (0.52) MAPTKDM4EMEN1KMT2AHSP90AA1

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
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 134/4885KDM4E 2320/4885MEN1 3334/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885KDM4E 2567/4885MEN1 3376/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885KDM4E 2567/4885MEN1 3376/4885

“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.