SCHEMBL5339702

SCHEMBL5339702

O=C1CCCN1N1CCCC1=S

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
LMNA P02545 1/20 0.35
PIK3CD O00329 1/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL600282 0.87 BRD4 (0.52) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL28113778 0.84 BRD4 (0.50) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL2363506 0.81 BRD4 (0.48) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL3053956 0.79 BRD4 (0.46) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL12443428 0.78 BRD4 (0.43) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL1440028 0.78 BRD4 (0.43) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL11382367 0.76 BRD4 (0.42) BRD4BRD2LMNAPIK3CDKMT2A
SCHEMBL14559892 0.75 BRD4 (0.39) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL12450880 0.75 CHRM2 (0.39) BRD4BRD2LMNAPIK3CDKMT2A
SCHEMBL442676 0.72 BRD4 (0.44) BRD4BRD2LMNAPIK3CDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 US disclosed
US-20050009850-A1 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2005-01-13 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-20050009850-A1 Quinazoline compounds with therapeutic use CD4, HLA-DRB1, IL5 BRD4 451/4885BRD2 1296/4885LMNA 2257/4885

“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.