SCHEMBL5012380

SCHEMBL5012380

O=c1[nH]cnc2c1sc1nc(N3CCCC3)c3c(c12)CCOC3

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
ALDH1A1 P00352 8/20 0.58
HPGD P15428 5/20 0.58
HIF1A Q16665 1/20 0.58
NPSR1 Q6W5P4 3/20 0.52
KMT2A Q03164 2/20 0.52
PDE4B Q07343 1/20 0.50
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 2/20 0.47
EEF2K O00418 1/20 0.47
HTT P42858 1/20 0.46
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 2/20 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
SCHEMBL427971 0.85 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHIF1ANPSR1
SCHEMBL5011421 0.81 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHIF1ANPSR1
SCHEMBL5015893 0.81 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHIF1ANPSR1
SCHEMBL4045742 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDHIF1ANPSR1
SCHEMBL5015886 0.79 PDE4B (0.58) KDM4EALDH1A1HPGDHIF1ANPSR1
SCHEMBL4046467 0.78 KDM4E (0.61) KDM4EALDH1A1HPGDHIF1ANPSR1
SCHEMBL424777 0.78 ALDH1A1 (0.74) KDM4EALDH1A1HPGDHIF1ANPSR1
SCHEMBL5011413 0.78 HPGD (0.57) KDM4EALDH1A1HPGDHIF1ANPSR1
SCHEMBL5014751 0.76 HPGD (0.55) KDM4EALDH1A1HPGDHIF1ANPSR1
SCHEMBL4044859 0.76 ALDH1A1 (0.74) KDM4EALDH1A1HPGDHIF1ANPSR1

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 KDM4E 1526/4885ALDH1A1 438/4885HPGD 25/4885

“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.