SCHEMBL13028223

SCHEMBL13028223

COc1cc2c(cc1OC)CN(c1nccc(C(=O)Nc3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3)n1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.46
▸ BACE1 P56817 3/20 0.46
▸ GSK3A P49840 3/20 0.44
▸ GSK3B P49841 3/20 0.44
▸ ACHE P22303 1/20 0.42
▸ ALK Q9UM73 2/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ CFTR P13569 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ CHEK1 O14757 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ IGF1R P08069 1/20 0.40

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
SCHEMBL13960755 0.92 GPR119 (0.45) GPR119ACHEALKPTPN11CFTR
SCHEMBL13028382 0.91 BACE1 (0.46) GPR119BACE1ALKMEN1MAPT
SCHEMBL13028071 0.87 BACE1 (0.47) GPR119BACE1ALKMEN1MAPT
SCHEMBL10361680 0.86 CHEK1 (0.54) GSK3AGSK3BCHEK1JAK2ROCK2
SCHEMBL13028384 0.86 GPR119 (0.44) GPR119BACE1GSK3BALKCFTR
SCHEMBL11924372 0.85 BACE1 (0.43) GPR119BACE1ALKMEN1MAPT
SCHEMBL13028142 0.85 CHEK1 (0.46) GPR119BACE1ALKMEN1KMT2A
SCHEMBL13067806 0.84 CFTR (0.45) GPR119BACE1GSK3AGSK3BALK
SCHEMBL11924364 0.82 BACE1 (0.45) GPR119BACE1GSK3BALKCFTR
SCHEMBL13028244 0.82 CHEK1 (0.60) GPR119BACE1GSK3AGSK3BPTPN11

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345705-B2 Compositions and methods for treating cancer MERCK SHARP & DOHME CORP. (US) 2016-05-24 — — US disclosed
US-9345705-B2 Compositions and methods for treating cancer MERCK SHARP & DOHME CORP. (US) 2016-05-24 — — US disclosed
US-20140343071-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER MERCK SHARP & DOHME CORP. 2014-11-20 — — US disclosed
US-20140343071-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER MERCK SHARP & DOHME CORP. 2014-11-20 — — US disclosed
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 — — US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 — — US 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-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MTOR, CDK1, MAP3K8 GPR119 1738/4885BACE1 550/4885GSK3A 218/4885
US-20140343071-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WEE1, WEE2, CHEK1 GPR119 1652/4885BACE1 2787/4885GSK3A 152/4885

“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.

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