SCHEMBL2067786

SCHEMBL2067786

COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
MAP4K4 O95819 1/20 0.50
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
GPR119 Q8TDV5 7/20 0.46
KCNH2 Q12809 1/20 0.46
MET P08581 1/20 0.44
SUV39H2 Q9H5I1 2/20 0.44
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL16931439 0.88 MAPT (0.52) ALDH1A1MAPTLMNAMAP4K4CKS1B
SCHEMBL30021896 0.86 MAPT (0.57) ALDH1A1MAPTLMNAMAP4K4CKS1B
SCHEMBL23612029 0.86 MAPT (0.57) ALDH1A1MAPTLMNAMAP4K4CKS1B
SCHEMBL3174381 0.86 MAPT (0.57) ALDH1A1MAPTLMNAMAP4K4CKS1B
SCHEMBL29546457 0.85 MAP4K4 (0.59) ALDH1A1MAPTLMNAMAP4K4CKS1B
SCHEMBL110185 0.85 MAP4K4 (0.59) ALDH1A1MAPTLMNAMAP4K4CKS1B
SCHEMBL31257432 0.83 MAPT (0.54) ALDH1A1MAPTLMNAMAP4K4CKS1B
SCHEMBL29318821 0.83 MAPT (0.54) ALDH1A1MAPTLMNAMAP4K4CKS1B
SCHEMBL25353652 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMAP4K4CKS1B
SCHEMBL2142014 0.82 MAP4K4 (0.55) ALDH1A1MAPTLMNAMAP4K4CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438063-A1 1H-IMIDAZO[4,5-C]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-04-11 EP claimed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO claimed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US claimed
US-9777020-B2 Furo-3-carboxamide derivatives and methods of use ABBVIE INC. (US) 2017-10-03 US disclosed
EP-3097095-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
US-20150210720-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. 2015-07-30 US disclosed
WO-2015112754-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO disclosed
EP-2438063-A1 1H-IMIDAZO[4,5-C]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-04-11 EP disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 ALDH1A1 2472/4885MAPT 1605/4885LMNA 811/4885
US-20150210720-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE NTRK2, MUSK, NTRK3 ALDH1A1 2033/4885MAPT 3492/4885LMNA 1449/4885

“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.