SCHEMBL5014740

SCHEMBL5014740

CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(N(CCN5CCOCC5)Cc5cccnc5)ncnc4c23)CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 1.00
PDE4A P27815 9/20 1.00
PDE4D Q08499 9/20 1.00
ADRB2 P07550 3/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
RAD52 P43351 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5013041 0.90 PDE4B (0.81) PDE4BPDE4APDE4DADRB2NPSR1
SCHEMBL4046387 0.89 PDE4B (0.81) PDE4BPDE4APDE4DNPSR1KDM4E
SCHEMBL4923982 0.87 PDE4B (0.77) PDE4BPDE4APDE4DADRB2HSD17B10
SCHEMBL5013091 0.85 PDE4B (1.00) PDE4BPDE4APDE4DADRB2CYP2C9
SCHEMBL5011403 0.85 PDE4B (0.78) PDE4BPDE4APDE4DADRB2CYP2C9
SCHEMBL4049405 0.82 PDE4B (0.70) PDE4BPDE4APDE4D
SCHEMBL4046180 0.82 PDE4B (0.73) PDE4BPDE4APDE4DCYP2C9CYP2C19
SCHEMBL5013095 0.81 PDE4B (0.68) PDE4BPDE4APDE4DADRB2CYP2C9
SCHEMBL5013032 0.81 PDE4B (1.00) PDE4BPDE4APDE4DADRB2CYP2C9
SCHEMBL5011477 0.81 PDE4B (0.76) PDE4BPDE4APDE4DADRB2CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819712-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP claimed
WO-2006058723-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 WO claimed
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 PDE4B 5/4885PDE4A 1/4885PDE4D 12/4885

“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.