SCHEMBL6833582

SCHEMBL6833582

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HBB P68871 2/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 2/20 0.46
PNP P00491 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
EDNRA P25101 1/20 0.46
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
VCP P55072 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HPRT1 P00492 7/20 0.43

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
SCHEMBL8760981 0.84 MEN1 (0.49) MEN1KMT2AHBBMAPK1BLM
SCHEMBL8760993 0.80 MEN1 (0.43) MEN1KMT2AHBBMAPK1BLM
SCHEMBL7627167 0.79 PNP (0.58) MEN1KMT2AHBBMAPK1BLM
SCHEMBL6834577 0.76 PNP (0.56) MEN1KMT2AHBBMAPK1BLM
SCHEMBL3857906 0.75 HPRT1 (0.66) PNPHPRT1
SCHEMBL20997456 0.75 PNP (0.55) MEN1KMT2AHBBMAPK1BLM
SCHEMBL8760975 0.75 PNP (0.45) MEN1KMT2AHBBMAPK1BLM
SCHEMBL17194164 0.74 HPRT1 (0.52) MEN1KMT2AHBBMAPK1BLM
SCHEMBL6266779 0.74 TK1 (0.58) MEN1KMT2AHBBBLMPNP
SCHEMBL3857910 0.74 HPRT1 (0.53) MEN1KMT2AHBBBLMPNP

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 11 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-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 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
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

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 MEN1 4298/4885KMT2A 4278/4885HBB 4370/4885
US-20030004345-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP MEN1 4298/4885KMT2A 4278/4885HBB 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.