SCHEMBL6834255

SCHEMBL6834255

Nc1nc2c(c(=O)[nH]1)NCN2CC#CCOCP(=O)(O)O

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 15/20 0.70
PNP P00491 3/20 0.36

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
SCHEMBL64568 0.82 HPRT1 (1.00) HPRT1PNP
SCHEMBL8899140 0.81 HPRT1 (0.74) HPRT1PNP
Phosphoric Acid SCHEMBL3497655 0.81 HPRT1 (0.98) HPRT1PNP
SCHEMBL9054351 0.81 HPRT1 (0.87) HPRT1PNP
SCHEMBL10506465 0.81 HPRT1 (0.53) HPRT1
SCHEMBL9053851 0.80 HPRT1 (0.85) HPRT1PNP
SCHEMBL9054484 0.79 HPRT1 (0.71) HPRT1PNP
SCHEMBL8762573 0.79 HPRT1 (0.70) HPRT1PNP
SCHEMBL6834509 0.79 HPRT1 (0.70) HPRT1PNP
SCHEMBL23223497 0.78 HPRT1 (0.69) HPRT1PNP

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 13 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
US-5817647-A VIRICIDES; ANTITUMOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-10-06 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-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 3/4885
US-20030004345-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP HPRT1 8/4885PNP 3/4885

“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.