SCHEMBL7125904

SCHEMBL7125904

COc1cccc(Sc2nc(N)nc3c2ncn3CCOCPCC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.40
HSP90AA1 P07900 4/20 0.39
HSP90AB1 P08238 4/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SLC29A1 Q99808 2/20 0.36
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
NSD3 Q9BZ95 1/20 0.34
EGFR P00533 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL7127136 0.93 SLC29A1 (0.37) DHFRHSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL7126031 0.92 SLC29A1 (0.39) DHFRHSP90AA1HSP90AB1SLC29A1CYP2C19
SCHEMBL7128310 0.91 SLC29A1 (0.41) DHFRHSP90AA1HSP90AB1SLC29A1CYP2C19
SCHEMBL7131165 0.91 HSP90AA1 (0.36) DHFRHSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL7118004 0.91 CYP1A2 (0.35) DHFRHSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL7122263 0.90 NSD3 (0.40) DHFRHSP90AA1HSP90AB1ADORA2ASLC29A1
SCHEMBL7127268 0.88 CYP2C19 (0.35) SLC29A1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL7118005 0.88 CYP1A2 (0.41) ADORA2ASLC29A1CYP2C19CYP1A2CYP3A4
SCHEMBL7129054 0.85 DHFR (0.39) DHFRHSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL7126789 0.85 DHFR (0.42) DHFRHSP90AA1HSP90AB1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109498-A1 Antiviral agent for drug-resistant virus MITSUBISHI PHARMA CORPORATION (JP) 2003-06-12 US claimed
US-20030109498-A1 Antiviral agent for drug-resistant virus MITSUBISHI PHARMA CORPORATION (JP) 2003-06-12 US disclosed
EP-0785208-B1 Phosphonate nucleotide compounds MITSUBISHI CHEM CORP (JP) 2001-03-21 EP disclosed
EP-0785208-A1 Phosphonate nucleotide compounds MITSUBISHI CHEMICAL CORPORATION (JP) 1997-07-23 EP 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-20030109498-A1 Antiviral agent for drug-resistant virus TPMT, MTAP, TYMP DHFR 335/4885HSP90AA1 3605/4885HSP90AB1 3042/4885

“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.