SCHEMBL4958934

SCHEMBL4958934

COC(=O)c1nc2c(N)nc(C(C)C3CCCCC3)nc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PNP P00491 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PDE8B O95263 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4954186 0.78 PDE8B (0.36) PDE8B
SCHEMBL4956434 0.77 CA12 (0.32) PARP1
SCHEMBL5358038 0.72 NPC1 (0.30) SMN1; SMN2
SCHEMBL8049902 0.70 RPS6KB1 (0.50) RIPK1OPRK1ALDH1A1MAPK1NPSR1
SCHEMBL19921425 0.59 EPHX1 (0.35) SMN1; SMN2PARP1MAPK1
SCHEMBL13279753 0.57 ALDH1A1 (0.41) HSD17B10KMT2AALDH1A1KDM4EHPGD
SCHEMBL24724891 0.56 DPP4 (0.47) ALDH1A1NPSR1
SCHEMBL22143669 0.56 DPP4 (0.47) ALDH1A1NPSR1
SCHEMBL4570295 0.56 DPP4 (0.47) ALDH1A1NPSR1
SCHEMBL954821 0.56 DPP4 (0.47) ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060182-B1 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2012-12-19 — — EP disclosed
US-7351399-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2008-04-01 — — US disclosed
US-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds ERION MARK D 2005-12-29 — — US disclosed
US-6946115-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2005-09-20 — — US disclosed
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. 2002-05-02 — — US disclosed
US-6312662-B1 CONVERSION BY HUMAN LIVER MICROSOMES TO MPO3H2 METABASIS THERAPEUTICS, INC. 2001-11-06 — — US 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-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds HCRTR2, CYP2R1, SLC22A8 RIPK1 1637/4885HSD17B10 660/4885OPRK1 283/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK RIPK1 2306/4885HSD17B10 994/4885OPRK1 353/4885

“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.

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