SCHEMBL2467778

SCHEMBL2467778

CCNc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(N)cc23)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 6/20 0.35
AXL P30530 4/20 0.35
MERTK Q12866 4/20 0.35
MAPT P10636 2/20 0.34
MAPK14 Q16539 7/20 0.33
MAPK13 O15264 3/20 0.33
MAPK12 P53778 3/20 0.33
MAPK11 Q15759 3/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
LRRK2 Q5S007 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2468163 0.89 MERTK (0.34) TYRO3AXLMERTKMAPTMAPK14
SCHEMBL2467689 0.84 L3MBTL1 (0.47) MAPTCNR1CNR2ACHEMEN1
SCHEMBL2274094 0.83 CNR1 (0.36) MAPTCNR1CNR2ACHEKDM4E
SCHEMBL2280858 0.81 CNR1 (0.35) CNR1CNR2LRRK2ACHEMAPK1
SCHEMBL30084116 0.79 PTGER1 (0.38) MAPTCNR1CNR2ACHEKDM4E
SCHEMBL173515 0.79 PTGER1 (0.38) MAPTCNR1CNR2ACHEKDM4E
SCHEMBL2274062 0.78 KIT (0.34) MAPK14MAPK13MAPK12MAPK11CNR1
SCHEMBL2466902 0.78 ADORA2A (0.46) CNR1CNR2ACHEMAPK1
SCHEMBL14516342 0.76 MAPK14 (0.33) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL2860001 0.74 ADORA2A (0.42) CNR1CNR2ACHEKDM4EALDH1A1

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 10 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
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 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
EP-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 EP disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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 (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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 TYRO3 1245/4885AXL 2004/4885MERTK 2385/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 TYRO3 1590/4885AXL 2185/4885MERTK 2603/4885

“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.