SCHEMBL4140948

SCHEMBL4140948

CCOC(=O)c1cnc(SC)nc1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
MAOB P27338 1/20 0.52
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.47
SYK P43405 1/20 0.46
MAPT P10636 6/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL15584081 0.85 ALDH1A1 (0.63) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL6620528 0.84 ALDH1A1 (0.51) MAOBALDH1A1TDP1POLBMEN1
SCHEMBL4154386 0.82 L3MBTL1 (0.51) L3MBTL1MAOBMEN1KMT2ALMNA
SCHEMBL28734462 0.80 ALDH1A1 (0.62) L3MBTL1MAOBALDH1A1TDP1POLB
SCHEMBL31148410 0.79 MEN1 (0.61) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL3278294 0.79 MEN1 (0.61) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL30878949 0.79 SYK (0.74) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL4148799 0.78 LMNA (0.53) L3MBTL1MAOBALDH1A1POLBKMT2A
SCHEMBL14653196 0.77 ALDH1A1 (0.51) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL16116525 0.77 ALDH1A1 (0.51) ALDH1A1TDP1POLBMEN1KMT2A

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-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) WARNER-LAMBERT COMPANY LLC 2009-09-10 US disclosed
EP-1682532-B1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
EP-1682532-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) Warner-Lambert Company LLC (US) 2006-07-26 EP disclosed
WO-2005042519-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE -3-KINASES (PI3K) WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 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-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) PIK3CA, PIK3CD, PIK3R5 L3MBTL1 2418/4885MAOB 3167/4885ALDH1A1 2412/4885

“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.