SCHEMBL6834577

SCHEMBL6834577

C=C(COCP(O)O)Cn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.56
BLM P54132 2/20 0.56
HBB P68871 2/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
EDNRA P25101 1/20 0.56
HTR2A P28223 1/20 0.56
RECQL P46063 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TK1 P04183 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
NFKB1 P19838 1/20 0.51
VCP P55072 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
HPRT1 P00492 6/20 0.51

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
SCHEMBL7627167 0.87 PNP (0.58) PNPBLMHBBUSP2TSHR
SCHEMBL3857906 0.84 HPRT1 (0.66) PNPHPRT1POLB
SCHEMBL20997456 0.84 PNP (0.55) PNPBLMHBBUSP2TSHR
SCHEMBL23223499 0.84 HPRT1 (0.45) PNPBLMHBBUSP2TSHR
SCHEMBL3857910 0.80 HPRT1 (0.53) PNPBLMHBBUSP2TSHR
SCHEMBL6266779 0.80 TK1 (0.58) PNPBLMHBBUSP2TSHR
SCHEMBL23223493 0.80 TK1 (0.65) PNPBLMHBBUSP2TSHR
SCHEMBL15078165 0.79 POLB (0.73) PNPBLMHBBUSP2TSHR
SCHEMBL17194164 0.79 HPRT1 (0.52) PNPBLMHBBUSP2TSHR
SCHEMBL17197636 0.78 HPRT1 (0.54) PNPBLMHBBUSP2TSHR

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 7 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 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-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 PNP 3/4885BLM 2245/4885HBB 4370/4885
US-20030004345-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP PNP 3/4885BLM 2245/4885HBB 4370/4885

“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.