SCHEMBL4049698

SCHEMBL4049698

CCc1nc2sc3c(=O)[nH]cnc3c2c2c1CC(C)(C)C2NC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
TDP1 Q9NUW8 2/20 0.62
HKDC1 Q2TB90 1/20 0.62
HPGD P15428 6/20 0.48
POLB P06746 3/20 0.48
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 4/20 0.36
OPRK1 P41145 1/20 0.36
DAPK3 O43293 2/20 0.34
PRKD3 O94806 2/20 0.34
PIM1 P11309 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34

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
SCHEMBL4046404 0.80 POLB (0.59) KDM4ETDP1HKDC1HPGDPOLB
SCHEMBL4045451 0.71 POLB (0.60) KDM4ETDP1HKDC1POLBALDH1A1
SCHEMBL4049687 0.68 KDM4E (0.56) KDM4ETDP1HKDC1HPGDPOLB
SCHEMBL24256851 0.68 HPGD (0.74) KDM4ETDP1HKDC1HPGDPOLB
SCHEMBL4049691 0.67 KDM4E (0.57) KDM4ETDP1HKDC1HPGDPOLB
SCHEMBL4046040 0.67 HPGD (0.74) KDM4ETDP1HKDC1HPGDPOLB
SCHEMBL5011413 0.66 HPGD (0.57) KDM4ETDP1HKDC1HPGDPOLB
SCHEMBL4050152 0.65 KDM4E (0.56) KDM4ETDP1HKDC1HPGDPOLB
SCHEMBL4045649 0.65 KDM4E (0.55) KDM4ETDP1HKDC1HPGDPOLB
SCHEMBL5014751 0.65 HPGD (0.55) KDM4ETDP1HKDC1HPGDPOLB

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 81/4885HKDC1 3137/4885

“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.