SCHEMBL5073238

SCHEMBL5073238

[c]1nnc2ccccc2c1-c1ncncn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
EGFR P00533 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL2065802 0.76 CYP1A2 (0.49) GPR3EGFRLMNA
SCHEMBL5392739 0.74 LMNA (0.46) GPR3LMNAHTTADORA2A
SCHEMBL17048132 0.72 METAP2 (0.41) GPR3
SCHEMBL299834 0.70 NPC1 (0.42) GPR3LMNAADORA2A
SCHEMBL16062228 0.69 PDPK1 (0.43) GPR3ADORA2A
SCHEMBL4574523 0.68 RAB9A (0.42) GPR3LMNA
SCHEMBL1725498 0.68 DHODH (0.40) GPR3
SCHEMBL317014 0.67 GPR3 (0.41) GPR3LMNA
SCHEMBL16222851 0.66 TNF (0.53) LMNAHTT
SCHEMBL1854776 0.66 GPR3 (0.48) GPR3LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545512-B1 Gold (III) complexes as anti-tumor and anti-HIV agents UNIV HONG KONG (CN) 2013-03-20 EP disclosed
EP-1545512-A4 METHODS FOR USING GOLD (III) COMPLEXES AS ANTI-TUMOR AND ANTI-HIV AGENTS UNIV HONG KONG (CN) 2008-07-02 EP disclosed
EP-1545512-A1 METHODS FOR USING GOLD (III) COMPLEXES AS ANTI-TUMOR AND ANTI-HIV AGENTS The University of Hong Kong (CN) 2005-06-29 EP disclosed
WO-2005035500-A2 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-04-21 WO disclosed
US-20040063681-A1 Methods for using gold (III) complexes as anti-tumor and anti-HIV agents CHE CHI-MING (CN) 2004-04-01 US disclosed
WO-2004024146-A1 METHODS FOR USING GOLD (III) COMPLEXES AS ANTI-TUMOR AND ANTI-HIV AGENTS THE UNIVERSITY OF HONG KONG (CN) 2004-03-25 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-20040063681-A1 Methods for using gold (III) complexes as anti-tumor and anti-HIV agents HCCS, ME3, IDH1 GPR3 2724/4885EGFR 3563/4885PI4KA 3295/4885

“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.