SCHEMBL4045649

SCHEMBL4045649

Cc1nc2sc3c(=O)[nH]cnc3c2c2c1CCC(C)(C)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
TDP1 Q9NUW8 2/20 0.55
HKDC1 Q2TB90 1/20 0.55
HPGD P15428 6/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 2/20 0.50
HIF1A Q16665 1/20 0.50
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4D Q08499 2/20 0.49
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
PIM1 P11309 1/20 0.43
PDGFRA P16234 1/20 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
SCHEMBL4046040 0.83 HPGD (0.74) KDM4ETDP1HKDC1HPGDALDH1A1
SCHEMBL4046467 0.83 KDM4E (0.61) KDM4ETDP1HKDC1HPGDALDH1A1
SCHEMBL5245426 0.83 KDM4E (0.61) KDM4ETDP1HKDC1HPGDALDH1A1
SCHEMBL4047111 0.82 KDM4E (0.60) KDM4ETDP1HKDC1HPGDALDH1A1
SCHEMBL4044859 0.81 ALDH1A1 (0.74) KDM4ETDP1HKDC1HPGDALDH1A1
SCHEMBL4048972 0.80 PDE4A (0.56) KDM4ETDP1HKDC1HPGDALDH1A1
SCHEMBL4047943 0.80 PDE4A (0.56) KDM4ETDP1HKDC1HPGDALDH1A1
SCHEMBL4050152 0.79 KDM4E (0.56) KDM4ETDP1HKDC1HPGDALDH1A1
SCHEMBL4045956 0.77 PDE4B (0.57) KDM4EALDH1A1POLBHIF1APDE4A
SCHEMBL4045742 0.76 KDM4E (0.66) KDM4ETDP1HKDC1HPGDALDH1A1

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 2 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

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.