SCHEMBL5047313

SCHEMBL5047313

CC(C)(C)c1cc(C(N)=O)n(-c2cccc(CN3CCOCC3)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NOS1 P29475 1/20 0.47
▸ MAPK14 Q16539 6/20 0.46
▸ GRN P28799 2/20 0.46
▸ SORT1 Q99523 2/20 0.46
▸ NCF1 P14598 1/20 0.44
▸ PIK3CD O00329 3/20 0.44
▸ PIK3R2 O00459 3/20 0.44
▸ PIK3CA P42336 3/20 0.44
▸ PIK3CB P42338 3/20 0.44
▸ PIK3CG P48736 3/20 0.44
▸ PIK3R5 Q8WYR1 3/20 0.44
▸ PIK3R3 Q92569 3/20 0.44
▸ PARP1 P09874 2/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ PARP3 Q9Y6F1 1/20 0.43
▸ TNF P01375 1/20 0.42
▸ DDR2 Q16832 1/20 0.42

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
SCHEMBL5047327 0.89 PARP1 (0.48) MEN1KMT2ANOS1MAPK14GRN
SCHEMBL1407899 0.84 NCF1 (0.49) MEN1KMT2ANOS1MAPK14NCF1
SCHEMBL30704930 0.84 NCF1 (0.49) MEN1KMT2ANOS1MAPK14NCF1
SCHEMBL10070685 0.83 NCF1 (0.47) MEN1KMT2ANOS1MAPK14NCF1
SCHEMBL2725769 0.78 GRN (0.51) MAPK14GRNSORT1KLKB1RAF1
SCHEMBL2724155 0.77 PARP1 (0.48) MAPK14GRNSORT1PARP1PARP2
SCHEMBL26921860 0.76 MAPK14 (0.42) MEN1KMT2AMAPK14PIK3CDPIK3R2
SCHEMBL26923141 0.76 MAPK14 (0.51) MAPK14TNFDDR2RAF1BRAF
SCHEMBL5048482 0.75 RIPK2 (0.58) KMT2AMAPK14GRNSORT1KLKB1
SCHEMBL1695879 0.75 NCF1 (0.48) MEN1KMT2ANOS1NCF1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 — — US claimed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 — — 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-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 MEN1 1929/4885KMT2A 800/4885NOS1 2637/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 MEN1 2018/4885KMT2A 912/4885NOS1 2493/4885

“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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