SCHEMBL3155654

SCHEMBL3155654

Nc1ccc2c(c1)c(N1CCC(F)(F)CC1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.34
FFAR2 O15552 3/20 0.33
CNR2 P34972 3/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
HTR6 P50406 1/20 0.32
WHR1 P49842 3/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
ADRB2 P07550 1/20 0.31
MAPK1 P28482 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
SCHEMBL3151970 0.82 L3MBTL1 (0.39) CNR2CNR1ACHEMAPK1
SCHEMBL31482873 0.77 DDB1 (0.43) MAOBFFAR2WHR1ADRB2
SCHEMBL22160363 0.76 RORC (0.38) FFAR2HTR6
SCHEMBL22160365 0.76 RORC (0.38) FFAR2HTR6
SCHEMBL22160437 0.75 USP30 (0.40) SCN10AMAPK1
SCHEMBL31482853 0.75 TEAD1 (0.39) MAOBCNR2CNR1WHR1
SCHEMBL31482860 0.75 TEAD1 (0.39) MAOBCNR2CNR1WHR1
SCHEMBL12373963 0.72 CNR1 (0.39) CNR2CNR1ACHEMAPK1
SCHEMBL31005974 0.72 HSP90AA1 (0.34) CNR2CNR1ACHE
SCHEMBL18113532 0.72 CNR1 (0.36) CNR2CNR1ACHEMAPK1

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
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
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-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
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US 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
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 MAOB 2858/4885FFAR2 1946/4885CNR2 3806/4885

“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.