SCHEMBL5089337

SCHEMBL5089337

CCOC(=O)c1cnc(NCCNc2cc(C)c([N+](=O)[O-])cn2)nc1-c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 8/20 0.40
L3MBTL1 Q9Y468 7/20 0.40
TDP1 Q9NUW8 6/20 0.40
LMNA P02545 5/20 0.40
HPGD P15428 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
GPR55 Q9Y2T6 2/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL27559808 0.91 EIF4E (0.39) ALDH1A1KDM4ECYP2C9CYP2C19MAPT
SCHEMBL5091616 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL5091748 0.88 MAPK8 (0.47) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL5089374 0.87 GSK3B (0.42) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL5093156 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL5092422 0.85 GSK3B (0.45) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL5094322 0.84 MAPT (0.41) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL5091675 0.83 NPSR1 (0.47) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL5091305 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL5095307 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1TDP1LMNA

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 13 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
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 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 ALDH1A1 3522/4885KDM4E 2320/4885L3MBTL1 2745/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885KDM4E 2567/4885L3MBTL1 2651/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885KDM4E 2567/4885L3MBTL1 2651/4885

“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.