SCHEMBL5014746

SCHEMBL5014746

CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCc5ccccn5)ncnc4c23)CO1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.75
ALDH1A1 P00352 11/20 0.75
ADRB2 P07550 7/20 0.75
PKM P14618 1/20 0.73
MAPT P10636 4/20 0.71
HPGD P15428 8/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
POLB P06746 4/20 0.64
HTT P42858 3/20 0.64
THRB P10828 2/20 0.64
CYP2C9 P11712 1/20 0.64
LMNA P02545 1/20 0.64
HIF1A Q16665 1/20 0.64
RXFP1 Q9HBX9 1/20 0.62
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
MCL1 Q07820 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
HSD17B10 Q99714 3/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL5013033 0.89 KDM4E (0.80) KDM4EALDH1A1ADRB2PKMMAPT
SCHEMBL4047590 0.88 PDE4B (0.69) KDM4EALDH1A1ADRB2PKMMAPT
SCHEMBL5015871 0.86 KDM4E (0.73) KDM4EALDH1A1ADRB2PKMMAPT
SCHEMBL5013046 0.86 KDM4E (0.73) KDM4EALDH1A1ADRB2PKMMAPT
SCHEMBL5011357 0.86 POLB (0.80) KDM4EALDH1A1ADRB2PKMMAPT
SCHEMBL5011553 0.82 ADRB2 (0.71) KDM4EALDH1A1ADRB2MAPTHPGD
SCHEMBL5012464 0.81 KDM4E (1.00) KDM4EALDH1A1ADRB2PKMMAPT
SCHEMBL5012420 0.81 PDE4B (0.78) ADRB2L3MBTL1POLBHTTCYP2C9
SCHEMBL5014755 0.81 PDE4B (0.69) KDM4EALDH1A1ADRB2MAPTHPGD
SCHEMBL5012337 0.77 KDM4E (1.00) KDM4EALDH1A1ADRB2PKMMAPT

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 438/4885ADRB2 584/4885

“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.