SCHEMBL4708076

SCHEMBL4708076

Nc1cccc(-c2ccnc(N)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.67
AURKA O14965 2/20 0.67
PRKACA P17612 2/20 0.67
ADORA2A P29274 1/20 0.67
HSP90AB1 P08238 1/20 0.59
PTK2 Q05397 1/20 0.59
KMO O15229 1/20 0.57
PLK1 P53350 1/20 0.55
CAMK2D Q13557 1/20 0.54
MAP4K4 O95819 2/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
KARS1 Q15046 1/20 0.51

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
SCHEMBL18013427 0.85 CDK5 (0.68) HSP90AA1AURKAPRKACAADORA2AHSP90AB1
SCHEMBL4202167 0.84 HSP90AA1 (0.76) HSP90AA1AURKAPRKACAADORA2AHSP90AB1
SCHEMBL6764764 0.82 HSP90AA1 (0.62) HSP90AA1AURKAPRKACAADORA2AHSP90AB1
SCHEMBL481304 0.82 PRKACA (0.62) HSP90AA1AURKAPRKACAADORA2AHSP90AB1
SCHEMBL5229810 0.82 HSP90AA1 (0.62) HSP90AA1AURKAPRKACAADORA2AHSP90AB1
SCHEMBL627394 0.82 KARS1 (0.56) PRKACAPLK1CAMK2DMAP4K4MEN1
SCHEMBL1466904 0.82 CAMK2D (0.58) HSP90AA1AURKAPRKACAADORA2AKMO
Hydrochloric Acid SCHEMBL4630422 0.81 KARS1 (0.55) PRKACAPLK1CAMK2DMAP4K4MEN1
SCHEMBL12171957 0.81 MEN1 (0.64) PRKACAPLK1CAMK2DMAP4K4MEN1
SCHEMBL316210 0.80 HSP90AA1 (1.00) HSP90AA1AURKAPRKACAADORA2AHSP90AB1

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 8 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
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
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-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 HSP90AA1 3758/4885AURKA 1182/4885PRKACA 1253/4885

“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.