SCHEMBL4522145

SCHEMBL4522145

CCOc1ccccc1-n1c(CN2CCCN(C)CC2)nc2cnccc2c1=O

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 13/20 0.75
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTR7 P34969 5/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL13789662 0.91 HIF1A (0.61) HIF1AALDH1A1LMNAPKMTSHR
SCHEMBL1593598 0.90 HIF1A (0.92) HIF1AALDH1A1LMNAPKMTSHR
SCHEMBL4508960 0.86 HIF1A (0.81) HIF1AALDH1A1LMNAPKMTSHR
SCHEMBL12610265 0.86 HIF1A (1.00) HIF1AALDH1A1LMNAPKMTSHR
SCHEMBL1593340 0.86 HIF1A (0.75) HIF1AALDH1A1LMNAPKMTSHR
SCHEMBL1593540 0.85 HIF1A (0.74) HIF1AALDH1A1LMNAPKMTSHR
SCHEMBL4527044 0.84 HIF1A (0.72) HIF1AALDH1A1LMNAPKMTSHR
SCHEMBL1593685 0.83 HIF1A (0.70) HIF1AALDH1A1LMNAPKMTSHR
SCHEMBL14473822 0.80 HIF1A (0.57) HIF1AALDH1A1LMNAPKMTSHR
SCHEMBL1593047 0.80 HIF1A (0.65) HIF1AALDH1A1LMNAPKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170834-A1 Fused Pyrimidones and Thiopyrimidones, and Uses Thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090170834-A1 Fused Pyrimidones and Thiopyrimidones, and Uses Thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090170834-A1 Fused Pyrimidones and Thiopyrimidones, and Uses Thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
WO-2007076085-A2 FUSED PYRIMIDONES AND THIOPYRIMIDONES, AND USES THEREOF PROLEXYS PHARMACEUTICALS, INC . (US) 2007-07-05 WO disclosed
WO-2007076085-A2 FUSED PYRIMIDONES AND THIOPYRIMIDONES, AND USES THEREOF PROLEXYS PHARMACEUTICALS, INC . (US) 2007-07-05 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 (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-20090170834-A1 Fused Pyrimidones and Thiopyrimidones, and Uses Thereof TYMP, TYMS, MKI67 HIF1A 3569/4885ALDH1A1 596/4885LMNA 4361/4885

“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.