SCHEMBL7127530

SCHEMBL7127530

CC(Cn1cnc2c(Sc3ccccc3)nc(N)nc21)OCP(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.56
CYP1A2 P05177 4/20 0.46
SLC29A1 Q99808 1/20 0.44
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
CYP2D6 P10635 8/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 3/20 0.42
HIF1A Q16665 3/20 0.42
ALDH1A1 P00352 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
HPRT1 P00492 3/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL6847582 0.93 CYP3A4 (0.56) CYP3A4CYP1A2SLC29A1CYP2D6CYP2C19
SCHEMBL6846259 0.90 CYP3A4 (0.52) CYP3A4CYP1A2SLC29A1HK1HKDC1
SCHEMBL7131234 0.90 CYP3A4 (0.53) CYP3A4CYP1A2SLC29A1CYP2D6HPRT1
SCHEMBL20012357 0.90 CYP3A4 (0.53) CYP3A4CYP1A2SLC29A1CYP2D6HPRT1
SCHEMBL7128278 0.89 CYP3A4 (0.52) CYP3A4CYP1A2SLC29A1HK1HKDC1
SCHEMBL7127594 0.89 CYP3A4 (0.52) CYP3A4CYP1A2SLC29A1CYP2D6CYP2C19
SCHEMBL7118739 0.89 CYP3A4 (0.50) CYP3A4CYP1A2SLC29A1HK1HKDC1
SCHEMBL7119660 0.88 CYP3A4 (0.52) CYP3A4CYP1A2SLC29A1CYP2D6CYP2C19
SCHEMBL6844496 0.88 CYP3A4 (0.53) CYP3A4CYP1A2SLC29A1HK1HKDC1
SCHEMBL7121168 0.88 CYP3A4 (0.49) CYP3A4CYP1A2SLC29A1HK1HKDC1

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 CYP3A4 977/4885CYP1A2 1083/4885SLC29A1 5/4885

“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.