SCHEMBL5111236

SCHEMBL5111236

CCCCNc1o[c]nc1CC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TLR8 Q9NR97 4/20 0.33
TLR7 Q9NYK1 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC29A1 Q99808 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL4721460 0.89 TLR8 (0.31) TLR8TLR7SMN1; SMN2
SCHEMBL4723833 0.81 TLR8 (0.38) TLR8TLR7SMN1; SMN2
SCHEMBL4724150 0.69 POLB (0.33)
SCHEMBL8847833 0.68
SCHEMBL4723368 0.66 SMN1; SMN2 (0.35) KDM4EALDH1A1HPGDTLR8TLR7
SCHEMBL5110106 0.66 TLR8 (0.32) TLR8TLR7SMN1; SMN2SLC29A1
SCHEMBL501043 0.65
SCHEMBL8847428 0.64
SCHEMBL4722311 0.63 TLR8 (0.34) ALDH1A1TLR8TLR7SMN1; SMN2SLC29A1
SCHEMBL4723460 0.63 TLR8 (0.40) KDM4EALDH1A1TLR8SMN1; SMN2ELANE

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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 KDM4E 2584/4885ALDH1A1 622/4885HPGD 800/4885

“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.