SCHEMBL4053028

SCHEMBL4053028

CC1(C)CCc2c(N3CCOCC3)nc3sc(C(N)=O)c(N)c3c2C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.72
TDP1 Q9NUW8 2/20 0.72
ATM Q13315 2/20 0.72
ALDH1A1 P00352 9/20 0.72
HPGD P15428 8/20 0.72
GAA P10253 4/20 0.72
MAPT P10636 8/20 0.59
HSD17B10 Q99714 6/20 0.59
GLA P06280 3/20 0.59
MAPK1 P28482 3/20 0.59
TSHR P16473 1/20 0.59
RXFP1 Q9HBX9 3/20 0.58
HTT P42858 2/20 0.58
USP2 O75604 1/20 0.58
RCE1 Q9Y256 1/20 0.58
ALOX15 P16050 1/20 0.57
NPSR1 Q6W5P4 4/20 0.56
RAD52 P43351 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
APAF1 O14727 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
SCHEMBL4051300 0.91 KDM4E (0.71) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL4046385 0.89 KDM4E (0.59) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL4045460 0.89 KDM4E (0.59) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL4051863 0.85 KDM4E (0.67) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL427370 0.84 KDM4E (1.00) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL426279 0.84 KDM4E (1.00) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL4054324 0.82 KDM4E (0.69) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL4046258 0.80 MAPT (0.69) KDM4EATMALDH1A1HPGDGAA
SCHEMBL12562437 0.77 KDM4E (0.81) KDM4ETDP1ATMALDH1A1HPGD
SCHEMBL4051773 0.77 EEF2K (0.54) KDM4EATMMAPTHTT

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
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US disclosed
EP-1819710-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2006058724-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 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-20090029955-A1 Pyridothienopyrimidine Derivatives PNPO, PDE4A, DPYD KDM4E 1600/4885TDP1 81/4885ATM 2297/4885

“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.