SCHEMBL7120903

SCHEMBL7120903

COc1ccc(Sc2nc(N)nc3c2ncn3CC(C)OCP(CC(F)(F)F)CC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.40
CYP1A2 P05177 6/20 0.38
CYP2C19 P33261 6/20 0.37
CYP2C9 P11712 4/20 0.37
HIF1A Q16665 4/20 0.37
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 3/20 0.37
TP53 P04637 1/20 0.37
DHFR P00374 2/20 0.36
ADORA2A P29274 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
HK1 P19367 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PHLPP2 Q6ZVD8 1/20 0.32

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
SCHEMBL7129082 0.92 SLC29A1 (0.41) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7121148 0.92 SLC29A1 (0.39) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7127184 0.92 SLC29A1 (0.41) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7130394 0.91 SLC29A1 (0.41) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7118055 0.91 SLC29A1 (0.42) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7131161 0.91 SLC29A1 (0.42) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7128472 0.91 CYP1A2 (0.44) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7131261 0.90 DHFR (0.39) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7121151 0.85 CYP1A2 (0.41) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7128450 0.85 SLC29A1 (0.40) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A

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-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
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
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 SLC29A1 5/4885CYP1A2 1083/4885CYP2C19 787/4885

“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.