SCHEMBL2471997

SCHEMBL2471997

[O-][n+]1cccc2c1c(-c1ccc(F)cc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
ADORA3 P0DMS8 4/20 0.33
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
KDM4E B2RXH2 3/20 0.33
EGFR P00533 1/20 0.33
RAF1 P04049 1/20 0.33
ADORA2B P29275 1/20 0.33
GSK3B P49841 1/20 0.33
MAPK14 Q16539 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGER1 P34995 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ESR1 P03372 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 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
SCHEMBL4139840 0.87 ALDH1A1 (0.38) ADORA2AADORA1KDM4ERAF1ADORA2B
SCHEMBL4137424 0.83 SRC (0.38) ADORA2AADORA1EGFRMAPK14SRC
SCHEMBL13854649 0.78 MAPK14 (0.40) GRM2ADORA3ADORA2AADORA1KDM4E
SCHEMBL4145541 0.77 HSP90AA1 (0.32) HTTMAPT
SCHEMBL5476722 0.77 GLS (0.31) SMN1; SMN2HPGD
SCHEMBL4141338 0.73 NFE2L2 (0.42) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL2468189 0.69 ADORA2A (0.38) GRM2ADORA3ADORA2AADORA1KDM4E
SCHEMBL2469222 0.69 ADORA2A (0.38) ADORA3ADORA2AADORA1KDM4ENPSR1
SCHEMBL14896452 0.68 LMNA (0.36) ADORA2AADORA1KDM4ENPSR1PTGER1
SCHEMBL14895636 0.68 ADORA1 (0.39) ADORA3ADORA2AADORA1KDM4ENPSR1

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 6 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-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
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 GRM2 3902/4885ADORA3 4858/4885ADORA2A 4831/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 GRM2 3816/4885ADORA3 4864/4885ADORA2A 4818/4885

“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.