SCHEMBL4708063

SCHEMBL4708063

O=c1nc(Cl)[nH]cc1[N+](=O)[O-].[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 1/20 0.36
GPR35 Q9HC97 1/20 0.36
TSHR P16473 4/20 0.34
CYP3A4 P08684 3/20 0.34
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
BLM P54132 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34

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
SCHEMBL3975806 0.98 KDM4E (0.39) KDM4ERAB9AGPR35TSHRCYP3A4
SCHEMBL4708066 0.96 KDM4E (0.38) KDM4ERAB9AGPR35TSHRCYP3A4
SCHEMBL58560 0.74
SCHEMBL10499811 0.73 KDM4E (0.39) KDM4ERAB9ATSHRCYP3A4HPGD
SCHEMBL9124172 0.67 GPR35 (0.45) KDM4ERAB9AGPR35TSHRCYP3A4
SCHEMBL1516544 0.67 TSHR (0.47) KDM4EGPR35TSHRCYP3A4HPGD
SCHEMBL31661340 0.67 KDM4E (0.43) KDM4ERAB9AGPR35TSHRCYP3A4
SCHEMBL265579 0.65 KDM4E (0.38) KDM4ERAB9ATSHRCYP3A4HPGD
SCHEMBL15282070 0.65 GALR3 (0.33) KDM4EGALR3KMT2A
SCHEMBL3616218 0.65 MAPT (0.39) KDM4EGPR35TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
EP-1781659-B1 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-11-05 EP disclosed
EP-1781659-A2 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
US-20060183747-A1 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-17 US disclosed
WO-2005012304-A2 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (1 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-20060183747-A1 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors GSK3B, GSK3A, GRK3 KDM4E 3137/4885RAB9A 4539/4885GPR35 970/4885

“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.