SCHEMBL12373963

SCHEMBL12373963

Nc1ccc2c(c1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
ACHE P22303 2/20 0.39
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FGFR1 P11362 1/20 0.34
RAB9A P51151 2/20 0.33
STAT1 P42224 1/20 0.33
ACSS2 Q9NR19 1/20 0.33

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
SCHEMBL13749235 0.89 CNR1 (0.37) CNR1CNR2ACHEKDM4EALDH1A1
SCHEMBL28210002 0.88 ACSS2 (0.35) CNR1CNR2ACHEKDM4EALDH1A1
SCHEMBL20920118 0.84 MAPK1 (0.32) MAPK1
SCHEMBL17430374 0.82 ACSS2 (0.38) ACHEKDM4EALDH1A1MEN1MAPT
SCHEMBL28209418 0.81 CYP11B1 (0.33) CNR1CNR2ACHEKDM4EMAPK1
SCHEMBL12073090 0.80 FGFR1 (0.40) KDM4EALDH1A1HSD17B10NPC1FGFR1
SCHEMBL9986928 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10FGFR1
SCHEMBL28209420 0.79 ALDH1A1 (0.35) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL18113532 0.79 CNR1 (0.36) CNR1CNR2ACHEKDM4EALDH1A1
SCHEMBL12406651 0.79 MAPK1 (0.30) MAPK1

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-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 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-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 CNR1 2588/4885CNR2 3669/4885ACHE 4038/4885

“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.