SCHEMBL6834474

SCHEMBL6834474

Nc1nc2c(ncn2C/C=C\COCP(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 11/20 0.66
PNP P00491 8/20 0.64
POLB P06746 1/20 0.57
TK1 P04183 1/20 0.56

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
SCHEMBL6834479 1.00 HPRT1 (0.66) HPRT1PNPPOLBTK1
SCHEMBL11374638 0.84 HPRT1 (0.67) HPRT1PNPTK1
SCHEMBL1732931 0.84 HPRT1 (0.67) HPRT1PNPTK1
SCHEMBL1732928 0.84 HPRT1 (0.67) HPRT1PNPTK1
Gs-438 SCHEMBL64567 0.82 POLB (0.80) HPRT1PNPPOLB
SCHEMBL8896276 0.81 HPRT1 (0.81) HPRT1PNPPOLB
SCHEMBL8895437 0.81 HPRT1 (0.74) HPRT1PNP
SCHEMBL8896272 0.81 HPRT1 (0.72) HPRT1PNP
SCHEMBL8898386 0.81 HPRT1 (0.80) HPRT1PNPPOLB
SCHEMBL8905164 0.81 HPRT1 (0.72) HPRT1PNPPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines AVENTIS PHARMACEUTICALS INC. 2004-04-08 US claimed
US-20030004345-A1 Unsaturated phosphonate derivatives of purines and pyrimidines CASARA PATRICK (FR) 2003-01-02 US claimed
EP-0701562-B1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL PHARMA INC (US) 1997-06-18 EP claimed
EP-0701562-A1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL DOW PHARMA (US) 1996-03-20 EP claimed
WO-1994022882-A1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-13 WO claimed
EP-0618214-A1 Unsaturated phosphonate derivatives of purines and pyrimidines MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-05 EP claimed
US-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines AVENTIS PHARMACEUTICALS INC. 2004-04-08 US disclosed
US-20030004345-A1 Unsaturated phosphonate derivatives of purines and pyrimidines CASARA PATRICK (FR) 2003-01-02 US disclosed
US-5922696-A VIRICIDES AGAINST DNA VIRUSES, RETROVIRUSES AND VIRUSES INVOLVED IN TUMOR FORMATION, CYTOMEGALOVIRUS, VARICELLA-ZOSTER VIRUS, EPSTEIN-BARR VIRUS, HUMAN IMMUNODEFICIENCY VIRUSES MERRELL PHARMACEUTICALS INC. (US) 1999-07-13 US disclosed
US-5817647-A VIRICIDES; ANTITUMOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-10-06 US disclosed
EP-0701562-B1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL PHARMA INC (US) 1997-06-18 EP disclosed
EP-0701562-A1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL DOW PHARMA (US) 1996-03-20 EP disclosed
WO-1994022882-A1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-13 WO disclosed
EP-0618214-A1 Unsaturated phosphonate derivatives of purines and pyrimidines MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-05 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 (2 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-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP HPRT1 8/4885PNP 3/4885POLB 100/4885
US-20030004345-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP HPRT1 8/4885PNP 3/4885POLB 100/4885

“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.