SCHEMBL5013083

SCHEMBL5013083

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

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
HSD17B10 Q99714 1/20 0.71
ADRB2 P07550 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
RXFP1 Q9HBX9 1/20 0.70
PDE4B Q07343 10/20 0.69
PDE4A P27815 6/20 0.69
PDE4D Q08499 6/20 0.69
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
POLB P06746 2/20 0.64
HIF1A Q16665 1/20 0.61
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
RAD52 P43351 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 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
SCHEMBL5011383 0.92 ALDH1A1 (0.75) TSHRHSD17B10ADRB2NPSR1CYP2C9
SCHEMBL5013141 0.91 ALDH1A1 (0.73) TSHRHSD17B10ADRB2NPSR1CYP2C9
SCHEMBL5011514 0.91 ALDH1A1 (0.76) TSHRHSD17B10ADRB2NPSR1CYP2C9
SCHEMBL5013058 0.89 PDE4B (0.71) TSHRHSD17B10ADRB2NPSR1CYP2C9
SCHEMBL5011410 0.89 ADRB2 (0.72) TSHRHSD17B10ADRB2NPSR1CYP2C9
SCHEMBL5015885 0.89 ALDH1A1 (0.81) TSHRHSD17B10ADRB2NPSR1CYP2C9
SCHEMBL4046032 0.88 PDE4B (0.67) TSHRHSD17B10ADRB2NPSR1CYP2C9
SCHEMBL4049404 0.86 PDE4B (0.70) TSHRHSD17B10ADRB2NPSR1CYP2C9
SCHEMBL4057386 0.85 PDE4B (0.69) TSHRHSD17B10ADRB2NPSR1CYP2C9
SCHEMBL5011477 0.84 PDE4B (0.76) TSHRHSD17B10ADRB2NPSR1CYP2C9

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 TSHR 2629/4885HSD17B10 1227/4885ADRB2 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.