SCHEMBL3796969

SCHEMBL3796969

CCCOc1ccccc1Nc1ncnc2scc(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
PDE5A O76074 1/20 0.47
PIP4K2C Q8TBX8 1/20 0.46
GAA P10253 2/20 0.46
MRGPRX1 Q96LB2 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 4/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NOD2 Q9HC29 1/20 0.43
MAPT P10636 3/20 0.42
MKNK2 Q9HBH9 2/20 0.41
DYRK3 O43781 2/20 0.41
MAP4K4 O95819 2/20 0.41
EGFR P00533 2/20 0.41
PIM1 P11309 2/20 0.41
CLK2 P49760 2/20 0.41

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
SCHEMBL3797440 0.91 HTT (0.54) HTTSMN1; SMN2RAB9APIP4K2CGAA
SCHEMBL3804143 0.90 HTT (0.45) HTTSMN1; SMN2RAB9APDE5APIP4K2C
SCHEMBL3799585 0.90 RAB9A (0.47) HTTSMN1; SMN2RAB9APIP4K2CGAA
SCHEMBL3802155 0.89 HTT (0.44) HTTSMN1; SMN2RAB9APDE5APIP4K2C
SCHEMBL3799156 0.87 MKNK2 (0.52) HTTSMN1; SMN2RAB9APIP4K2CGAA
SCHEMBL3805579 0.85 MAPT (0.53) HTTSMN1; SMN2RAB9APIP4K2CGAA
SCHEMBL3796872 0.85 RAB9A (0.47) HTTSMN1; SMN2RAB9APIP4K2CGAA
SCHEMBL3803948 0.83 RAB9A (0.52) HTTSMN1; SMN2RAB9APIP4K2CGAA
SCHEMBL3803617 0.83 RAB9A (0.45) HTTSMN1; SMN2RAB9APIP4K2CGAA
SCHEMBL3795865 0.83 RAB9A (0.48) HTTSMN1; SMN2RAB9APIP4K2CGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US claimed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP claimed
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 WO claimed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 WO claimed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 WO disclosed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 WO disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO 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-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK HTT 3454/4885SMN1; SMN2 671/4885RAB9A 2822/4885

“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.