SCHEMBL2067686

SCHEMBL2067686

Cc1nc(N2CC(F)(F)C2)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 6/20 0.34
PDE10A Q9Y233 2/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
HTR3A P46098 2/20 0.33
CNR2 P34972 2/20 0.32
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
LRRK2 Q5S007 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30

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
SCHEMBL2069382 0.90 HTR3A (0.33) HTR3ACNR2JAK2JAK1TYK2
SCHEMBL14938681 0.87 DPP4 (0.39) MBOAT4PDE10ACNR2
SCHEMBL25190063 0.86 CNR2 (0.36) HTR3ACNR2JAK2JAK1TYK2
SCHEMBL14938629 0.85 EIF2AK4 (0.39) MBOAT4PDE10ACNR2LRRK2
SCHEMBL17531164 0.82 NOS3 (0.36) MBOAT4PDE10ANOS3NOS1NOS2
SCHEMBL17537350 0.77 MBOAT4 (0.41) MBOAT4PDE10ACNR2
SCHEMBL2069505 0.77 CNR2 (0.47) PDE10AHTR3ACNR2
SCHEMBL2069275 0.77 CNR2 (0.50) PDE10AHTR3ACNR2
SCHEMBL14938719 0.76 HRH3 (0.36) PDE10AHTR3ACNR2
SCHEMBL25183855 0.76 CNR2 (0.40) PDE10AHTR3ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48622-E1 Therapeutically active pyrazolo-pyrimidine derivatives UCB Biopharma SRL (BE) 2021-07-06 US disclosed
EP-2935269-B1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2018-04-11 EP disclosed
US-9714248-B2 Therapeutically active pyrazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2017-07-25 US disclosed
EP-2776445-B1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-08-10 EP disclosed
US-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2016-07-07 US disclosed
EP-2935269-A1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB Biopharma SPRL (BE) 2015-10-28 EP disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 US disclosed
EP-2776445-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-09-17 EP disclosed
WO-2014096423-A1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2014-06-26 WO disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 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
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 (3 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-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives HAVCR2, TPMT, NFATC1 MBOAT4 4569/4885PDE10A 2105/4885NOS3 1226/4885
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 MBOAT4 2856/4885PDE10A 2061/4885NOS3 2899/4885
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 MBOAT4 4677/4885PDE10A 1142/4885NOS3 272/4885

“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.