SCHEMBL5015899

SCHEMBL5015899

CN1CCN(c2nc3sc(C(N)=O)c(N)c3c3c2COC(C)(C)C3)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.82
TDP1 Q9NUW8 2/20 0.82
ATM Q13315 1/20 0.82
ALDH1A1 P00352 6/20 0.65
HPGD P15428 5/20 0.65
GAA P10253 4/20 0.65
HSD17B10 Q99714 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MAPT P10636 3/20 0.65
HTT P42858 2/20 0.65
TSHR P16473 1/20 0.65
ALOX15 P16050 2/20 0.64
GLA P06280 2/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
RXFP1 Q9HBX9 2/20 0.57
POLB P06746 2/20 0.54
ALOX12 P18054 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL5013137 0.92 KDM4E (0.85) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL5014738 0.91 KDM4E (0.83) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL4045544 0.90 KDM4E (0.82) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL426279 0.90 KDM4E (1.00) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL4045460 0.83 KDM4E (0.59) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL14955316 0.82 KDM4E (0.85) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL425244 0.80 ALDH1A1 (0.91) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL5015905 0.78 KDM4E (0.64) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL4054324 0.78 KDM4E (0.69) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL429219 0.75 KDM4E (0.74) KDM4ETDP1ATMALDH1A1HPGD

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 1526/4885TDP1 105/4885ATM 2846/4885

“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.