SCHEMBL5013033

SCHEMBL5013033

CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCc5ccco5)ncnc4c23)CO1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.80
ALDH1A1 P00352 11/20 0.80
HTT P42858 4/20 0.80
HIF1A Q16665 2/20 0.80
THRB P10828 2/20 0.80
LMNA P02545 1/20 0.80
ADRB2 P07550 7/20 0.79
HPGD P15428 8/20 0.78
MAPT P10636 5/20 0.78
RXFP1 Q9HBX9 1/20 0.78
PKM P14618 1/20 0.77
L3MBTL1 Q9Y468 3/20 0.73
POLB P06746 5/20 0.68
CYP2C9 P11712 1/20 0.68
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
MCL1 Q07820 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
PDE4B Q07343 5/20 0.56
PDE4A P27815 4/20 0.56

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
SCHEMBL5014746 0.89 KDM4E (0.75) KDM4EALDH1A1HTTHIF1ATHRB
SCHEMBL5012337 0.88 KDM4E (1.00) KDM4EALDH1A1HTTHIF1ATHRB
SCHEMBL5015871 0.88 KDM4E (0.73) KDM4EALDH1A1HTTHIF1ATHRB
SCHEMBL5012457 0.86 KDM4E (0.79) KDM4EALDH1A1HTTHIF1ATHRB
SCHEMBL5012464 0.84 KDM4E (1.00) KDM4EALDH1A1ADRB2HPGDMAPT
SCHEMBL5013135 0.83 KDM4E (0.75) KDM4EALDH1A1HTTHIF1ATHRB
SCHEMBL5013116 0.83 PDE4B (0.76) KDM4EALDH1A1HTTHIF1ATHRB
SCHEMBL4176858 0.78 ALDH1A1 (0.67) KDM4EALDH1A1HTTHIF1ATHRB
SCHEMBL4047007 0.77 PDE4B (0.70) KDM4EALDH1A1HTTHIF1ATHRB
SCHEMBL5135624 0.76 KDM4E (0.83) KDM4EALDH1A1HTTHIF1ATHRB

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.