SCHEMBL4140368

SCHEMBL4140368

CCOC(=O)c1cnc(SC)nc1Oc1ccc(C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
NPSR1 Q6W5P4 3/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 3/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 4/20 0.54
HTT P42858 1/20 0.54
POLB P06746 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.49
SYK P43405 1/20 0.48

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
SCHEMBL31467164 0.86 ALDH1A1 (0.69) ALDH1A1NPSR1KMT2ALMNAMAPK1
SCHEMBL11009450 0.86 ALDH1A1 (0.69) ALDH1A1NPSR1KMT2ALMNAMAPK1
SCHEMBL6879275 0.83 NPSR1 (0.63) ALDH1A1NPSR1KMT2ALMNAMAPK1
Phenol SCHEMBL6873017 0.82 ALDH1A1 (0.65) ALDH1A1NPSR1KMT2ALMNAMAPK1
SCHEMBL11014144 0.81 MAPT (0.60) ALDH1A1NPSR1KMT2ALMNAMAPK1
SCHEMBL4147375 0.81 CYP1A2 (0.51) ALDH1A1NPSR1KMT2ALMNAMAPK1
SCHEMBL31148410 0.79 MEN1 (0.61) ALDH1A1NPSR1KMT2ALMNAMAPK1
SCHEMBL3278294 0.79 MEN1 (0.61) ALDH1A1NPSR1KMT2ALMNAMAPK1
SCHEMBL6880252 0.78 ALDH1A1 (0.60) ALDH1A1NPSR1KMT2ALMNAMAPK1
SCHEMBL13696640 0.78 ALDH1A1 (0.60) ALDH1A1NPSR1KMT2ALMNAMAPK1

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-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

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 ALDH1A1 2412/4885NPSR1 3742/4885KMT2A 3635/4885

“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.