SCHEMBL3797986

SCHEMBL3797986

c1ccc(OC2CCCC2)c(Nc2ncnc3sccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
PIP4K2A P48426 2/20 0.48
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
TNF P01375 2/20 0.46
NOD1 Q9Y239 2/20 0.46
EGFR P00533 1/20 0.44
FADS1 O60427 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
EIF4E P06730 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 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
SCHEMBL3801794 0.99 MEN1 (0.53) MEN1KMT2APIP4K2ARAB9ANPC1
SCHEMBL3797087 0.90 MEN1 (0.51) MEN1KMT2APIP4K2ARAB9ANPC1
SCHEMBL3803642 0.87 MKNK1 (0.57) MEN1KMT2APIP4K2ARAB9ANPC1
SCHEMBL3798459 0.86 MEN1 (0.49) MEN1KMT2APIP4K2ARAB9ANPC1
SCHEMBL3798528 0.86 MEN1 (0.49) MEN1KMT2APIP4K2ARAB9ANPC1
SCHEMBL3794289 0.86 MEN1 (0.49) MEN1KMT2APIP4K2ARAB9ANPC1
SCHEMBL3802228 0.82 IRAK4 (0.53) MEN1KMT2APIP4K2ARAB9ANPC1
SCHEMBL3796906 0.81 IRAK4 (0.52) MEN1KMT2APIP4K2ARAB9ANPC1
SCHEMBL3796460 0.81 MEN1 (0.51) MEN1KMT2APIP4K2ARAB9ANPC1
SCHEMBL3798139 0.81 MEN1 (0.48) MEN1KMT2APIP4K2ARAB9ANPC1

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 MEN1 1106/4885KMT2A 1016/4885PIP4K2A 84/4885

“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.