SCHEMBL3152170

SCHEMBL3152170

Nc1ccc2c(c1)c(-c1ccc(F)c(OCCO)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
CNR1 P21554 1/20 0.34
ACHE P22303 1/20 0.34
CNR2 P34972 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
BTK Q06187 3/20 0.32
DCK P27707 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
LSS P48449 1/20 0.30
CHEK1 O14757 1/20 0.30
BUB1 O43683 1/20 0.30

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
SCHEMBL4224117 0.91 SCN9A (0.34) CNR1ACHECNR2TLR7TLR9
SCHEMBL4220072 0.84 L3MBTL1 (0.43) CNR1ACHECNR2BTK
SCHEMBL3152363 0.83 TLR7 (0.41) CNR1ACHECNR2TLR7TLR9
SCHEMBL3152511 0.82 ALDH1A1 (0.36) CNR1ACHECNR2BTKSCN9A
SCHEMBL13855005 0.81 LSS (0.41) ALOX5APFEN1TLR7TLR9TLR8
SCHEMBL3152975 0.80 CNR1 (0.35) CNR1ACHECNR2BTKSCN9A
SCHEMBL2469222 0.79 ADORA2A (0.38) CNR1ACHECNR2BTKSCN9A
SCHEMBL13854954 0.78 KMT2A (0.38) ALOX5APBTKSCN9A
SCHEMBL3152058 0.78 ALDH1A1 (0.33) CNR1ACHECNR2BTKSCN5A
SCHEMBL2860001 0.77 ADORA2A (0.42) CNR1ACHECNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-2155722-B1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2155722-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2010-02-24 EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
WO-2008153858-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-12-18 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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 ALOX5AP 4309/4885FEN1 3912/4885CNR1 2879/4885

“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.