SCHEMBL3796906

SCHEMBL3796906

c1ccc(NC2CCCCC2)c(Nc2ncnc3sccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PIP4K2A P48426 2/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 4/20 0.45
EGFR P00533 1/20 0.45
FADS1 O60427 1/20 0.45
MALT1 Q9UDY8 1/20 0.45
NPC1 O15118 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL3802228 0.99 IRAK4 (0.53) IRAK4HTTSMN1; SMN2PIP4K2AMEN1
SCHEMBL3801794 0.82 MEN1 (0.53) IRAK4HTTSMN1; SMN2PIP4K2AMEN1
SCHEMBL3797986 0.81 MEN1 (0.54) IRAK4HTTSMN1; SMN2PIP4K2AMEN1
SCHEMBL3799480 0.80 PIP4K2A (0.47) IRAK4HTTSMN1; SMN2PIP4K2AMEN1
SCHEMBL3794278 0.79 PIP4K2A (0.48) IRAK4HTTSMN1; SMN2PIP4K2AMEN1
SCHEMBL3797107 0.77 RAB9A (0.60) SMN1; SMN2PIP4K2AMEN1KMT2ARAB9A
SCHEMBL3798465 0.76 RAB9A (0.55) IRAK4HTTSMN1; SMN2RAB9AEGFR
SCHEMBL3797489 0.76 RAB9A (0.50) HTTSMN1; SMN2PIP4K2AMEN1KMT2A
SCHEMBL9431935 0.75 KMT2A (0.54) HTTSMN1; SMN2PIP4K2AMEN1KMT2A
SCHEMBL3799139 0.75 MEN1 (0.54) SMN1; SMN2PIP4K2AMEN1KMT2ARAB9A

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 6 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-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-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 IRAK4 1840/4885HTT 3454/4885SMN1; SMN2 671/4885

“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.