SCHEMBL5015886

SCHEMBL5015886

Clc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CCOC3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.58
EEF2K O00418 1/20 0.56
KMT2A Q03164 4/20 0.53
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 10/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 4/20 0.50
OPRK1 P41145 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
LMNA P02545 4/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
HIF1A Q16665 1/20 0.49
HTT P42858 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
SCHEMBL19805199 0.85 EEF2K (0.77) EEF2KKMT2ATSHRNPSR1KDM4E
SCHEMBL5011383 0.81 ALDH1A1 (0.75) PDE4BKMT2ATSHRNPSR1KDM4E
SCHEMBL5013141 0.80 ALDH1A1 (0.73) PDE4BKMT2ATSHRNPSR1KDM4E
SCHEMBL5012380 0.79 KDM4E (0.58) PDE4BEEF2KKMT2ATSHRNPSR1
SCHEMBL5012378 0.79 PDE4B (0.93) PDE4BKMT2AKDM4EALDH1A1HPGD
SCHEMBL5014730 0.79 PDE4B (0.65) PDE4BKMT2ANPSR1KDM4EALDH1A1
SCHEMBL5015874 0.79 PDE4B (0.70) PDE4BKMT2AKDM4EALDH1A1HPGD
SCHEMBL4048665 0.78 KDM4E (0.56) PDE4BEEF2KKMT2AKDM4EALDH1A1
SCHEMBL4048395 0.77 PDE4B (0.62) PDE4BEEF2KKMT2AKDM4EALDH1A1
SCHEMBL5013083 0.77 TSHR (0.71) PDE4BKMT2ATSHRNPSR1KDM4E

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 PDE4B 5/4885EEF2K 3948/4885KMT2A 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.