SCHEMBL4227465

SCHEMBL4227465

NC(=O)n1nc(-c2ccc(F)cc2)c2cc[c]cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.37
RORC P51449 3/20 0.36
SCN4A P35499 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PARP1 P09874 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RARG P13631 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
SCHEMBL3138154 0.90 RORC (0.36) PTGER1RORCSCN4ACA12CA1
SCHEMBL4221224 0.90 RORC (0.36) PTGER1RORCSCN4ACA12CA1
SCHEMBL5147474 0.81 RORC (0.55) PTGER1RORCMAPTKDM4EALDH1A1
SCHEMBL5377483 0.76 CA12 (0.35) PTGER1RORCCA12CA1CA2
SCHEMBL2929071 0.76 PDGFRA (0.40)
SCHEMBL2932427 0.75 ELANE (0.38)
SCHEMBL2926169 0.75
SCHEMBL4216581 0.74 SCN4A (0.35) PTGER1SCN4ACA12CA1CA2
SCHEMBL5380438 0.73 MALT1 (0.32) RORCMAPTKDM4EALDH1A1POLB
SCHEMBL5381637 0.72 HDAC6 (0.32) TP53SMN1; SMN2

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
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
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 PTGER1 1285/4885RORC 2751/4885SCN4A 2143/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 PTGER1 1709/4885RORC 3195/4885SCN4A 2259/4885

“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.