SCHEMBL4153625

SCHEMBL4153625

CCOC(=O)c1cnc(SC)nc1OC1CC(C)CC(C)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 7/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
SYK P43405 2/20 0.47
MAPT P10636 6/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 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
SCHEMBL31361631 0.89 MEN1 (0.58) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL31361711 0.86 KMT2A (0.58) KMT2AMEN1ALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL4711068 0.83 KMT2A (0.52) KMT2AMEN1ALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL4711066 0.83 KMT2A (0.52) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL4146288 0.82 MEN1 (0.38) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL3278294 0.80 MEN1 (0.61) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL31148410 0.80 MEN1 (0.61) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL13696640 0.79 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL31148360 0.79 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL25057369 0.77 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1TDP1POLB

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 KMT2A 3635/4885MEN1 3332/4885ALDH1A1 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.