SCHEMBL4044859

SCHEMBL4044859

CC1(C)CCc2c(N3CCOCC3)nc3sc4c(=O)[nH]cnc4c3c2C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
KDM4E B2RXH2 4/20 0.74
HPGD P15428 1/20 0.74
HIF1A Q16665 1/20 0.74
PDE4B Q07343 11/20 0.60
PDE4A P27815 8/20 0.60
PDE4D Q08499 8/20 0.60
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HKDC1 Q2TB90 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
EEF2K O00418 1/20 0.48
AGTR1 P30556 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4046467 0.92 KDM4E (0.61) ALDH1A1KDM4EHPGDHIF1APDE4B
SCHEMBL5245426 0.91 KDM4E (0.61) ALDH1A1KDM4EHPGDHIF1APDE4B
SCHEMBL4047111 0.90 KDM4E (0.60) ALDH1A1KDM4EHPGDHIF1APDE4B
SCHEMBL4053824 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHIF1APDE4B
SCHEMBL427971 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHIF1ATSHR
SCHEMBL424777 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHIF1APDE4B
SCHEMBL4052185 0.84 KDM4E (0.73) ALDH1A1KDM4EHPGDHIF1APDE4B
SCHEMBL4045742 0.83 KDM4E (0.66) ALDH1A1KDM4EHPGDHIF1APDE4B
SCHEMBL432053 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHIF1APDE4B
SCHEMBL4057386 0.81 PDE4B (0.69) ALDH1A1KDM4EHPGDPDE4BPDE4A

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 ALDH1A1 391/4885KDM4E 1600/4885HPGD 35/4885

“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.