SCHEMBL5824358

SCHEMBL5824358

O=C(N=C=S)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.47
GSK3B P49841 1/20 0.46
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
PSMD14 O00487 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 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
SCHEMBL27430241 0.83 CES2 (0.55) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL10349262 0.79 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL2006799 0.78 CES2 (0.64) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL4703400 0.76 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL3237973 0.76 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL30976528 0.76 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL1279794 0.75 ALDH1A1 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL2441765 0.75 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL17050045 0.74 CES2 (0.48) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL11084150 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CES2 1095/4885CES1 2165/4885L3MBTL1 1545/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CES2 1425/4885CES1 2399/4885L3MBTL1 1895/4885

“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.