Sugi Predict

Sugi Predict / Compounds / SCHEMBL2274094

SCHEMBL2274094

SCHEMBL2274094

CCOc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(N)cc23)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ACSS2 Q9NR19 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KIT P10721 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PTGER1 P34995 2/20 0.32
▸ NTRK1 P04629 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
SCHEMBL2280858 0.90 CNR1 (0.35) CNR1CNR2ACHEMAPK1KIT
SCHEMBL2274062 0.87 KIT (0.34) CNR1CNR2ACHEMAPK1KIT
SCHEMBL2276520 0.84 L3MBTL1 (0.47) CNR1CNR2ACHEMEN1MAPT
SCHEMBL13748972 0.84 ACSS2 (0.33) ACSS2MAPK1KITPTGER1NTRK1
SCHEMBL2467778 0.83 TYRO3 (0.35) CNR1CNR2ACHEALDH1A1MAPK1
SCHEMBL2468163 0.81 MERTK (0.34) CNR1CNR2ACHEMAPK1MAPT
SCHEMBL12374200 0.80 PIK3CA (0.35) CNR1CNR2ACHEALDH1A1MAPK1
SCHEMBL30084116 0.80 PTGER1 (0.38) CNR1CNR2ACHEALDH1A1MAPK1
SCHEMBL173515 0.80 PTGER1 (0.38) CNR1CNR2ACHEALDH1A1MAPK1
SCHEMBL2466902 0.78 ADORA2A (0.46) CNR1CNR2ACHEMAPK1PTGER1

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
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 — — EP disclosed
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 — — EP disclosed
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-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
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
EP-2260031-A1 COMPOUNDS THAT ARE ERK INHIBITORS Schering Corporation (US) 2010-12-15 — — EP disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 — — 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.