SCHEMBL5483136

SCHEMBL5483136

NC(=O)c1c(N)ncn1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.59
ADORA2A P29274 1/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
ADRA1D P25100 3/20 0.46
TNF P01375 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PNP P00491 2/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
ACP1 P24666 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 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
Hydrochloric Acid SCHEMBL7987445 0.98 PKM (0.57) PKMGAATSHRADORA2API4KA
SCHEMBL7984484 0.91 PKM (0.50) PKMGAATSHRADORA2API4KA
SCHEMBL7984250 0.88 PARP10 (0.53) PKMGAATSHR
SCHEMBL7987743 0.86 SCD (0.50) PKMGAATSHRADRA1DCYP11B1
SCHEMBL7974026 0.86 KDM4E (0.58) PKMGAATSHRADORA2AADRA1D
SCHEMBL7988810 0.85 ADORA2A (0.51) PKMGAATSHRADORA2AADRA1D
Hydrochloric Acid SCHEMBL7991220 0.85 PKM (0.42) PKMGAATSHRCYP11B1CCNC
SCHEMBL7987690 0.85 PKM (0.43) PKMGAATSHRCYP11B1CYP11B2
SCHEMBL7988530 0.85 SMN1; SMN2 (0.46) PKMGAATSHRCYP11B1CYP11B2
SCHEMBL7975372 0.83 ALDH1A1 (0.51) PKMGAATSHRADORA2AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
EP-1728792-A1 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 EP disclosed
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 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 (1 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-20070225303-A1 8-Oxoadenine Compound TLR7, CCR8, TLR8 PKM 3882/4885GAA 2372/4885TSHR 2378/4885

“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.