SCHEMBL6794752

SCHEMBL6794752

COc1ccc(CNc2nc(CN3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc3c2SC2CCCC=C32)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 6/20 0.44
HTT P42858 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
PDE5A O76074 1/20 0.38
GHSR Q92847 1/20 0.38
MCHR1 Q99705 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5408518 0.79 GPR55 (0.48) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL6765188 0.76 PDE5A (0.40) PDE5A
SCHEMBL5407863 0.66 F10 (0.44) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL5408430 0.64 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL4762032 0.63 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1PDE5A
SCHEMBL4762020 0.62 PDE5A (0.47) PDE5A
SCHEMBL5409979 0.62 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL16188034 0.62 MEN1 (0.63) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4762021 0.61 PDE5A (0.40) PDE5A
SCHEMBL5412985 0.61 PDE5A (0.49) SMN1; SMN2ALDH1A1HTTKMT2AMAPT

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-20040044011-A1 2-Aminoalkyl-thieno[2,3-d]pyrimidines MEREK PATENT GMBH (DE) 2004-03-04 US claimed

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-20040044011-A1 2-Aminoalkyl-thieno[2,3-d]pyrimidines DPYD, PDE3A, PDE2A SMN1; SMN2 2219/4885ALDH1A1 125/4885HTT 4622/4885

“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.