SCHEMBL4072837

SCHEMBL4072837

CCOC(=O)c1cnc([S+](C)[O-])nc1NC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
S1PR2 O95136 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
XBP1 P17861 1/20 0.57
RAB9A P51151 1/20 0.57
PPP1CA P62136 1/20 0.57
KMT2A Q03164 1/20 0.57
PDE4B Q07343 5/20 0.48
POLB P06746 1/20 0.44
ADORA3 P0DMS8 4/20 0.44
ADORA2A P29274 4/20 0.44
ADORA1 P30542 4/20 0.44
ADORA2B P29275 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
SCHEMBL4070421 0.81 NR2F2 (0.62) NR2F2NPSR1KDM4EMAPTMAPK1
SCHEMBL4713311 0.81 ALDH1A1 (0.47) NPSR1KDM4EMAPTMAPK1MEN1
SCHEMBL30560120 0.81 NR2F2 (0.39) NR2F2NPSR1KDM4EMAPTMAPK1
SCHEMBL16094797 0.81 NR2F2 (0.39) NR2F2NPSR1KDM4EMAPTMAPK1
SCHEMBL16094795 0.81 NR2F2 (0.39) NR2F2NPSR1KDM4EMAPTMAPK1
SCHEMBL29501978 0.81 NR2F2 (0.63) NR2F2NPSR1KDM4EMAPTMAPK1
SCHEMBL20299361 0.81 NR2F2 (0.63) NR2F2NPSR1KDM4EMAPTMAPK1
SCHEMBL574167 0.80 ALDH1A1 (0.60) NR2F2NPSR1KDM4EMAPTMAPK1
SCHEMBL30498501 0.80 ALDH1A1 (0.60) NR2F2NPSR1KDM4EMAPTMAPK1
SCHEMBL761164 0.79 NR2F2 (0.60) NR2F2NPSR1KDM4EMAPTMAPK1

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 8 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-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP 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
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP disclosed
WO-2005042519-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE -3-KINASES (PI3K) WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO disclosed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US disclosed
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 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 (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-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) PIK3CA, PIK3CD, PIK3R5 NR2F2 2431/4885NPSR1 3742/4885KDM4E 2264/4885
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders CDK4, CCNA1, CCNI NR2F2 2228/4885NPSR1 4330/4885KDM4E 296/4885

“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.