SCHEMBL4139629

SCHEMBL4139629

O=C(O)c1cnc(N2CCOCC2)nc1NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.52
SYK P43405 5/20 0.52
POLB P06746 1/20 0.48
TRPA1 O75762 2/20 0.47
PTPN11 Q06124 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD11B1 P28845 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PIK3CD O00329 1/20 0.46
BRAF P15056 1/20 0.45
NR2F2 P24468 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
S1PR2 O95136 1/20 0.45
LMNA P02545 1/20 0.45
XBP1 P17861 1/20 0.45
RAB9A P51151 1/20 0.45
PPP1CA P62136 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4140382 0.99 MERTK (0.53) MERTKSYKPOLBTRPA1PTPN11
SCHEMBL28768632 0.94 MERTK (0.57) MERTKSYKPOLBTRPA1PTPN11
SCHEMBL27172361 0.93 MERTK (0.54) MERTKSYKPOLBTRPA1PTPN11
SCHEMBL4147258 0.83 NR2F2 (0.65) MERTKSYKPOLBALDH1A1KDM4E
SCHEMBL1013924 0.80 HSD11B1 (0.60) POLBPTPN11ALDH1A1HSD11B1KDM4E
SCHEMBL1014270 0.78 HSD11B1 (0.59) POLBPTPN11ALDH1A1HSD11B1KDM4E
SCHEMBL5448414 0.78 NR2F2 (0.59) MERTKSYKPOLBALDH1A1KDM4E
SCHEMBL4134742 0.77 PIK3CD (0.65) POLBPTPN11ALDH1A1HSD11B1KDM4E
SCHEMBL4132326 0.77 POLB (0.48) POLBPTPN11ALDH1A1HSD11B1KDM4E
SCHEMBL4141427 0.77 PIK3CD (0.65) POLBPTPN11ALDH1A1HSD11B1KDM4E

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 MERTK 853/4885SYK 159/4885POLB 862/4885

“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.