SCHEMBL5013111

SCHEMBL5013111

CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NNc5ccccc5)ncnc4c23)CO1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
RXFP1 Q9HBX9 2/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
PDE4B Q07343 12/20 0.70
PDE4A P27815 5/20 0.70
PDE4D Q08499 5/20 0.70
KMT2A Q03164 3/20 0.60
RAD52 P43351 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HTT P42858 2/20 0.58
NSD2 O96028 1/20 0.58
RECQL P46063 1/20 0.58
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MC4R P32245 1/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL5011524 0.86 PDE4B (0.70) ADRB2NPSR1RXFP1CYP2C9CYP2C19
SCHEMBL5011514 0.84 ALDH1A1 (0.76) ADRB2NPSR1RXFP1CYP2C9CYP2C19
SCHEMBL5060130 0.84 ADRB2 (0.75) ADRB2NPSR1RXFP1CYP2C9CYP2C19
SCHEMBL5012420 0.83 PDE4B (0.78) ADRB2NPSR1RXFP1CYP2C9CYP2C19
SCHEMBL5011364 0.83 CYP2C9 (0.70) ADRB2NPSR1RXFP1CYP2C9CYP2C19
SCHEMBL5011655 0.83 ADRB2 (0.79) ADRB2NPSR1RXFP1CYP2C9CYP2C19
SCHEMBL5012419 0.82 ADRB2 (0.83) ADRB2NPSR1RXFP1CYP2C9CYP2C19
SCHEMBL5011400 0.82 PDE4B (1.00) ADRB2NPSR1RXFP1CYP2C9CYP2C19
SCHEMBL5011506 0.82 PDE4B (0.71) ADRB2NPSR1RXFP1CYP2C9CYP2C19
SCHEMBL5013116 0.82 PDE4B (0.76) ADRB2NPSR1RXFP1CYP2C9CYP2C19

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 584/4885NPSR1 2013/4885RXFP1 2780/4885

“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.