SCHEMBL5015885

SCHEMBL5015885

CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCOCC5)ncnc4c23)CO1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.81
KDM4E B2RXH2 3/20 0.81
POLB P06746 1/20 0.81
ADRB2 P07550 3/20 0.75
MAPT P10636 1/20 0.75
PDE4B Q07343 8/20 0.71
NPSR1 Q6W5P4 2/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
RXFP1 Q9HBX9 1/20 0.70
PDE4A P27815 5/20 0.69
PDE4D Q08499 5/20 0.69
TSHR P16473 2/20 0.68
HSD17B10 Q99714 2/20 0.68
KMT2A Q03164 3/20 0.66
RAD52 P43351 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
NSD2 O96028 1/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 1/20 0.63

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
SCHEMBL5011514 0.97 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBADRB2MAPT
SCHEMBL5013083 0.89 TSHR (0.71) ALDH1A1KDM4EPOLBADRB2MAPT
SCHEMBL5011410 0.89 ADRB2 (0.72) ALDH1A1KDM4EPOLBADRB2MAPT
SCHEMBL5011383 0.86 ALDH1A1 (0.75) ALDH1A1KDM4EPOLBADRB2MAPT
SCHEMBL5013141 0.85 ALDH1A1 (0.73) ALDH1A1KDM4EPOLBADRB2MAPT
SCHEMBL5011477 0.84 PDE4B (0.76) ALDH1A1KDM4EPOLBADRB2MAPT
SCHEMBL5014735 0.84 PDE4B (0.94) ALDH1A1KDM4EADRB2PDE4BNPSR1
SCHEMBL5011506 0.83 PDE4B (0.71) ALDH1A1KDM4EPOLBADRB2MAPT
SCHEMBL5015894 0.83 PDE4B (0.94) ALDH1A1KDM4EADRB2PDE4BNPSR1
SCHEMBL5011549 0.83 PDE4B (1.00) ALDH1A1KDM4EADRB2PDE4BNPSR1

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 ALDH1A1 438/4885KDM4E 1526/4885POLB 426/4885

“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.