SCHEMBL7122263

SCHEMBL7122263

COc1ccc(Sc2nc(N)nc3c2ncn3CCOCPCC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 2/20 0.40
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
DHFR P00374 2/20 0.37
CYP1A2 P05177 5/20 0.36
CYP2C19 P33261 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 1/20 0.36
ADORA2A P29274 1/20 0.36
SLC29A1 Q99808 3/20 0.36
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
HSP90B1 P14625 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
SCHEMBL7118059 0.92 CYP1A2 (0.38) NSD3HSP90AA1HSP90AB1DHFRCYP1A2
SCHEMBL7124770 0.91 SLC29A1 (0.41) NSD3DHFRCYP1A2CYP2C19CYP3A4
SCHEMBL7125426 0.91 CYP2C19 (0.39) NSD3DHFRCYP1A2CYP2C19CYP3A4
SCHEMBL7119316 0.91 SLC29A1 (0.36) NSD3HSP90AA1HSP90AB1DHFRCYP1A2
SCHEMBL7130490 0.90 CYP2C19 (0.38) NSD3CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7125904 0.90 DHFR (0.40) NSD3HSP90AA1HSP90AB1DHFRCYP1A2
SCHEMBL7117962 0.90 SLC29A1 (0.37) NSD3HSP90AA1HSP90AB1DHFRCYP1A2
SCHEMBL7118005 0.89 CYP1A2 (0.41) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL7125916 0.85 SLC29A1 (0.39) HSP90AA1HSP90AB1DHFRCYP1A2CYP2C19
SCHEMBL7128450 0.84 SLC29A1 (0.40) HSP90AA1HSP90AB1DHFRCYP1A2CYP2C19

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
US-20030109498-A1 Antiviral agent for drug-resistant virus MITSUBISHI PHARMA CORPORATION (JP) 2003-06-12 US claimed
EP-0785208-B1 Phosphonate nucleotide compounds MITSUBISHI CHEM CORP (JP) 2001-03-21 EP claimed
EP-0785208-A1 Phosphonate nucleotide compounds MITSUBISHI CHEMICAL CORPORATION (JP) 1997-07-23 EP 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 NSD3 2164/4885HSP90AA1 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.