SCHEMBL5013136

SCHEMBL5013136

CC(CCc1ccccc1)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.64
RAD52 P43351 2/20 0.64
KMT2A Q03164 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HTT P42858 2/20 0.61
NSD2 O96028 1/20 0.61
RECQL P46063 1/20 0.61
RXFP1 Q9HBX9 2/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
PDE4B Q07343 10/20 0.59
PDE4A P27815 6/20 0.59
PDE4D Q08499 6/20 0.59
POLB P06746 2/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.49

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
SCHEMBL5011364 0.94 CYP2C9 (0.70) ADRB2RAD52KMT2AL3MBTL1HTT
SCHEMBL5070029 0.88 ADRB2 (0.77) ADRB2RAD52KMT2AL3MBTL1HTT
SCHEMBL5011527 0.86 PDE4B (0.76) ADRB2RAD52KMT2AL3MBTL1HTT
SCHEMBL5014737 0.82 ADRB2 (0.80) ADRB2RAD52KMT2AL3MBTL1HTT
SCHEMBL5060130 0.80 ADRB2 (0.75) ADRB2RAD52KMT2AL3MBTL1HTT
SCHEMBL5011372 0.80 PDE4B (0.89) ADRB2RAD52KMT2AL3MBTL1HTT
SCHEMBL5012432 0.80 PDE4B (0.70) ADRB2RAD52KMT2AL3MBTL1HTT
SCHEMBL5011553 0.79 ADRB2 (0.71) ADRB2RAD52KMT2AL3MBTL1HTT
SCHEMBL5015884 0.79 PDE4B (0.88) ADRB2RAD52KMT2AL3MBTL1HTT
SCHEMBL5014744 0.79 PDE4B (0.88) ADRB2RAD52KMT2AL3MBTL1HTT

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 ADRB2 584/4885RAD52 2936/4885KMT2A 3109/4885

“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.