SCHEMBL5014751

SCHEMBL5014751

CCCCc1nc2sc3c(=O)[nH]cnc3c2c2c1COCC2

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.55
POLB P06746 3/20 0.55
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
RXFP1 Q9HBX9 4/20 0.50
KMT2A Q03164 3/20 0.50
HKDC1 Q2TB90 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HIF1A Q16665 1/20 0.44
MAPK1 P28482 1/20 0.42
RAD52 P43351 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.36

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
SCHEMBL5011413 0.94 HPGD (0.57) HPGDPOLBKDM4EALDH1A1NPSR1
SCHEMBL24256851 0.80 HPGD (0.74) HPGDPOLBKDM4EALDH1A1NPSR1
SCHEMBL5012458 0.80 POLB (0.59) HPGDPOLBKDM4EALDH1A1NPSR1
SCHEMBL5012380 0.76 KDM4E (0.58) HPGDPOLBKDM4EALDH1A1NPSR1
SCHEMBL5011542 0.73 POLB (0.61) HPGDPOLBKDM4EALDH1A1NPSR1
SCHEMBL427971 0.67 ALDH1A1 (0.68) HPGDPOLBKDM4EALDH1A1NPSR1
SCHEMBL4049698 0.65 KDM4E (0.62) HPGDPOLBKDM4EALDH1A1NPSR1
SCHEMBL4046040 0.65 HPGD (0.74) HPGDPOLBKDM4EALDH1A1NPSR1
SCHEMBL5012375 0.65 POLB (0.57) HPGDPOLBKDM4EALDH1A1NPSR1
SCHEMBL432053 0.64 ALDH1A1 (0.70) HPGDPOLBKDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207645-A1 Pyridothienopyrimidine Derivatives PAGES SANTACANA LUIS MIGUEL 2008-08-28 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 (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-20080207645-A1 Pyridothienopyrimidine Derivatives PDE4A, PDE5A, PDE3B HPGD 25/4885POLB 426/4885KDM4E 1526/4885

“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.