SCHEMBL1825846

SCHEMBL1825846

Nc1cc2cc(F)c(F)cc2cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.52
ABL1 P00519 2/20 0.44
NOS3 P29474 3/20 0.39
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
PIK3CB P42338 1/20 0.38
MAPT P10636 2/20 0.36
BRAF P15056 2/20 0.35
FGFR1 P11362 2/20 0.34
SRC P12931 2/20 0.34
TDO2 P48775 1/20 0.34
ALOX5AP P20292 3/20 0.33
FEN1 P39748 2/20 0.33
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL19532043 0.86 PDPK1 (0.44) PDPK1ABL1NOS3NOS1NOS2
SCHEMBL32675655 0.86 PDPK1 (0.44) PDPK1ABL1NOS3NOS1NOS2
SCHEMBL21634972 0.86 PDPK1 (0.44) PDPK1ABL1NOS3NOS1NOS2
SCHEMBL4765233 0.82 PDPK1 (0.64) PDPK1ABL1NOS3NOS1NOS2
SCHEMBL30449138 0.77
SCHEMBL14810008 0.77
SCHEMBL557986 0.76 NOS3 (0.62) PDPK1ABL1NOS3NOS1NOS2
SCHEMBL557742 0.76 PDPK1 (0.52) PDPK1ABL1NOS3NOS1NOS2
SCHEMBL22833705 0.76 PDPK1 (0.57) PDPK1ABL1NOS3NOS1NOS2
SCHEMBL559391 0.76 ABL1 (0.64) PDPK1ABL1NOS3NOS1NOS2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315761-B1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LTD (GB) 2018-07-11 EP disclosed
EP-2315761-B1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LTD (GB) 2018-07-11 EP disclosed
US-8461339-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (US) 2013-06-11 US disclosed
US-8461339-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (US) 2013-06-11 US disclosed
US-8461339-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (US) 2013-06-11 US disclosed
US-20110130394-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-06-02 US disclosed
US-20110130394-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-06-02 US disclosed
US-20110130394-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-06-02 US disclosed
EP-2315761-A1 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2011-05-04 EP disclosed
WO-2010007374-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2010-01-21 WO disclosed
WO-2010007374-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2010-01-21 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-20110130394-A1 PHARMACEUTICAL COMPOUNDS NR2C2, NR3C2, NR0B2 PDPK1 3068/4885ABL1 337/4885NOS3 235/4885

“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.