SCHEMBL5013046

SCHEMBL5013046

Cc1nc2sc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.73
ALDH1A1 P00352 8/20 0.73
HTT P42858 2/20 0.73
LMNA P02545 1/20 0.73
THRB P10828 1/20 0.73
HIF1A Q16665 1/20 0.73
HPGD P15428 6/20 0.69
HSD17B10 Q99714 4/20 0.69
MAPK1 P28482 2/20 0.69
POLB P06746 1/20 0.63
MAPT P10636 2/20 0.59
RXFP1 Q9HBX9 2/20 0.59
ADRB2 P07550 7/20 0.57
TSHR P16473 1/20 0.57
CREBBP Q92793 1/20 0.57
PDE4B Q07343 5/20 0.56
PDE4A P27815 4/20 0.56
PDE4D Q08499 4/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 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
SCHEMBL5011357 0.89 POLB (0.80) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL5011553 0.87 ADRB2 (0.71) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL5014746 0.86 KDM4E (0.75) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL5012420 0.86 PDE4B (0.78) HTTLMNAPOLBRXFP1ADRB2
SCHEMBL5014755 0.86 PDE4B (0.69) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL5011677 0.85 PDE4B (0.75) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL5015902 0.78 PDE4B (0.71) KDM4EALDH1A1HTTHPGDPOLB
SCHEMBL5011527 0.76 PDE4B (0.76) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL4047590 0.75 PDE4B (0.69) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL5012337 0.75 KDM4E (1.00) KDM4EALDH1A1HTTLMNATHRB

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 1526/4885ALDH1A1 438/4885HTT 4161/4885

“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.